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Chemical structure of Zingibroside R1

GC37968

Zingibroside R1

Also known as (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

A triterpene saponin and an active metabolite of ginsenoside Ro

ChemicalCAS80930-74-1MW794.97FormulaC42H66O14
CAS number
80930-74-1
Molecular weight
794.97
Formula
C42H66O14
Solubility
DMSO ： 100 mg/mL (125·79 mM; Need ultrasonic)
InChIKey
WJQOMUVKRDJBGZ-COUNGWPASA-N
Catalogue number
GC37968
Brand
GLPBIO
Computed properties PubChem CID 10395524 · XLogP 4.5 · TPSA 233 Ų · H-bond donors 8
XLogP
4.5
TPSA
233 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
56

SMILES C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Computed descriptors from PubChem (CID 10395524), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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