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Chemical structure of Sapindoside B

GC69857

Sapindoside B

Also known as (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,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

Sapindoside B is a natural product that can be isolated from the leaves of Acanthopanax sieboldianus

ChemicalCAS30994-75-3MW883.07FormulaC46H74O16
CAS number
30994-75-3
Molecular weight
883.07
Formula
C46H74O16
InChIKey
IAGSHEHQJJTLLR-FNINEVAMSA-N
Catalogue number
GC69857
Brand
GLPBIO
Computed properties PubChem CID 161686 · XLogP 2.1 · TPSA 255 Ų · H-bond donors 9
XLogP
2.1
TPSA
255 Ų
H-bond donors
9
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
62

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

Computed descriptors from PubChem (CID 161686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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