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Chemical structure of Darutoside

GC38047

Darutoside

Also known as (3R,4S,5S,6R)-2-[[(4aS,4bS,7S,10aS)-7-[(1R)-1,2-dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Darutoside is a diterpenoid isolated from Siegesbeckia

ChemicalCAS59219-65-7MW484.62FormulaC26H44O8
CAS number
59219-65-7
Molecular weight
484.62
Formula
C26H44O8
Solubility
DMSO ： 100 mg/mL (206·35 mM; Need ultrasonic)
InChIKey
OJRJAOXVGPMJAP-XOQGPCJVSA-N
Catalogue number
GC38047
Brand
GLPBIO
Computed properties PubChem CID 3036982 · XLogP 1.5 · TPSA 140 Ų · H-bond donors 6
XLogP
1.5
TPSA
140 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

SMILES CC1C[C@H]2C(C(CC[C@@]2([C@H]3C1=C[C@@](CC3)(C)[C@H](CO)O)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C

Computed descriptors from PubChem (CID 3036982), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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