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Chemical structure of Depressine

GC64114

Depressine

Also known as methyl (2S,3R,4S)-3-ethenyl-4-[2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Depressine is a natural product found in Gentiana depressa

ChemicalCAS176182-06-2MW688.63FormulaC30H40O18
CAS number
176182-06-2
Molecular weight
688.63
Formula
C30H40O18
Solubility
DMSO ： 100 mg/mL (145·22 mM; Need ultrasonic)
InChIKey
ODVCSBYBNISFOU-HNEGCACGSA-N
Catalogue number
GC64114
Brand
GLPBIO
Computed properties PubChem CID 101696497 · XLogP -1.1 · TPSA 281 Ų · H-bond donors 9
XLogP
-1.1
TPSA
281 Ų
H-bond donors
9
H-bond acceptors
18
Rotatable bonds
14
Heavy atoms
48

SMILES COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=C(C(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 101696497), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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