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Chemical structure of Cauloside A

GC60100

Cauloside A

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

Cauloside A (Leontoside A) is a saponin isolated from Dipsacus asper roots

ChemicalCAS17184-21-3MW604.81FormulaC35H56O8
CAS number
17184-21-3
Molecular weight
604.81
Formula
C35H56O8
InChIKey
QUBNLZCADIYAFW-LWXWVVBESA-N
Catalogue number
GC60100
Brand
GLPBIO
Computed properties PubChem CID 159813 · XLogP 4.7 · TPSA 137 Ų · H-bond donors 5
XLogP
4.7
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
43

SMILES C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O

Computed descriptors from PubChem (CID 159813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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