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Chemical structure of Momordicoside A

GC38486

Momordicoside A

Also known as (3R,4R,5S,6S)-2-methyl-6-[(3S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol

Momordicoside A is isolated from Momordica charantia L

ChemicalCAS75801-95-5MW817.01FormulaC42H72O15
CAS number
75801-95-5
Molecular weight
817.01
Formula
C42H72O15
Solubility
DMSO ： 100 mg/mL (122·40 mM; Need ultrasonic)
InChIKey
WBYJYPOPDKQBQJ-WVMSUIAMSA-N
Catalogue number
GC38486
Brand
GLPBIO
Computed properties PubChem CID 71717038 · XLogP 1 · TPSA 259 Ų · H-bond donors 11
XLogP
1
TPSA
259 Ų
H-bond donors
11
H-bond acceptors
15
Rotatable bonds
11
Heavy atoms
57

SMILES C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O

Computed descriptors from PubChem (CID 71717038), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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