Clematoside S

(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Also Known As: Clematoside S|Clematoside-S|Prosapogenin CP6|Sapindoside B|Saponin CP6|A)-23-hydroxy-3-{[|A-l-altropyranosyl-(1->2)-|KST-1A9066|A-d-ribopyranosyl-(1->3)-6-deoxy-|A-l-arabinopyranosyl]oxy}olean-12-en-28-oic acid|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(3|A)-23-hydroxy-3-{[|A-d-ribopyranosyl-(1->3)-6-deoxy-|A-l-altropyranosyl-(1->2)-|A-l-arabinopyranosyl]oxy}olean-12-en-28-oic acid|Hederagenin-3-O-beta-D-ribopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranoside|Olean-12-en-28-oic acid, 23-hydroxy-3-((O-beta-D-ribopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta,4alpha)-|(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-((2S,3R,4S,5S)-3-((2S,3R,4S,5S,6S)-3,5-dihydroxy-6-methyl-4-((2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6S)-3,5-DIHYDROXY-6-METHYL-4-{[(2S,3R,4R,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}OXAN-2-YL]OXY}-4,5-DIHYDROXYOXAN-2-YL]OXY}-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID|23-Hydroxy-3beta-{[beta-D-ribopyranosyl-(1->3)-6-deoxy-alpha-L-altropyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid

Molecular Formula	C46H74O16
Molecular Weight	882.4977 g/mol
LogP	2.1
Topological Polar Surface Area	255.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	882.4977
Monoisotopic Mass	882.4977
Heavy Atoms	62
Complexity	1690.0

Chemical Identifiers

CAS Number	94271-06-4
SMILES	C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@@H]([C@@H](CO8)O)O)O)O
InChIKey	IAGSHEHQJJTLLR-MYLSNVMOSA-N