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Chemical structure of Cauloside F

GC35618

Cauloside F

Also known as [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-carboxylate

Cauloside F is a triterpenoid saponin isolated from Clematis akebioides

ChemicalCAS60451-47-0MW1237.38FormulaC59H96O27
CAS number
60451-47-0
Molecular weight
1237.38
Formula
C59H96O27
Solubility
DMSO ： 100 mg/mL (80·82 mM; Need ultrasonic)
InChIKey
KWXBKEINOHVSGJ-FBCAOFFQSA-N
Catalogue number
GC35618
Brand
GLPBIO
Computed properties PubChem CID 102004666 · XLogP -2.5 · TPSA 433 Ų · H-bond donors 16
XLogP
-2.5
TPSA
433 Ų
H-bond donors
16
H-bond acceptors
27
Rotatable bonds
15
Heavy atoms
86

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 102004666), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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