What is the molecular formula of saponin?

The molecular formula of saponin is C58H94O27.

What are some synonyms for saponin?

Some synonyms for saponin include sapogenins, glycosides, and NSC 104795.

What is the molecular weight of saponin?

The molecular weight of saponin is 1223.3 g/mol.

What is the description of saponin?

Saponin is a natural product found in various plants, consisting of a sapogenin as the aglycone moiety and a sugar.

What is the IUPAC name of saponin?

The IUPAC name of saponin is (2R,4S,5R,10S,13R,14R,18S,20R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0 1,18 .0 4,17 .0 5,14 .0 8,13 ]tetracosane-20-carbaldehyde.

What is the InChIKey of saponin?

The InChIKey of saponin is MAEBCGDGGATMSC-OSHGGGOQSA-N.

What is the canonical SMILES of saponin?

The canonical SMILES of saponin is CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(CO5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C.

What is the CAS number for saponin?

The CAS number for saponin is 23643-76-7.

How many hydrogen bond donor counts does saponin have?

Saponin has 15 hydrogen bond donor counts.

What is the XLogP3-AA value of saponin?

The XLogP3-AA value of saponin is -2.7.

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Saponin

Name: Saponin
SKU: DGS8047152
Rating: 5 (1 reviews)

Catalog	DGS8047152
CAS	8047-15-2
Synonyms	Quillaja saponin
IUPAC Name	(2R,4S,5R,10S,13R,14R,18S,20R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Molecular Weight	414.62
Molecular Formula	C27H42O3
Canonical SMILES	C[C@]1(CCC23COC4([C@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C(C6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O
InChI	InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-46(85-51-45(40(71)37(68)27(19-61)80-51)84-49-43(74)39(70)36(67)26(18-60)79-49)44(83-48-42(73)38(69)35(66)25(17-59)78-48)28(21-76-50)81-47-41(72)34(65)24(63)20-75-47/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29?,30-,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,49-,50+,51+,53-,54+,55-,56+,57?,58?/m1/s1
InChI Key	MAEBCGDGGATMSC-OSHGGGOQSA-N
Melting Point	158 °C
Purity	98%
Density	1.015-1.020 g/ml
Solubility	Soluble in cold water
Appearance	Powder
Complexity	2340
EC Number	232-462-6
Exact Mass	1222.59824772
Formal Charge	0
Heavy Atom Count	85
Hydrogen Bond Acceptor Count	27
Hydrogen Bond Donor Count	15
Isomeric SMILES	C[C@]1(CCC23COC4([C@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C(C6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O
Monoisotopic Mass	1222.59824772
Rotatable Bond Count	14
Shipping	Ambient temperature
Storage Conditions	Room temperature
Topological Polar Surface Area	422 Å²
XLogP3-AA	-2.7

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