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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001956

MomordicosideB

Formula: C47H80O19  |  Mol. Weight: 949.10 g/mol

IUPAC: (3R,4S,6R)-6-[(3S,8R,9R,10R,13R,14R,17R)-3-[(2R,5S)-3,4-dihydroxy-6-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol

Overview

Molecular Formula C47H80O19
Molecular Weight 949.10 g/mol
Canonical SMILES CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)O)C)C)C)C(C(C(C(C)(C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy