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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005416

(E)-(3I(2),6I+/-,12I(2))-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-I(2)-D-glucopyranosyl]oxy]dammar-24-en-20-yl I(2)-D-glucopyranoside

Formula: C46H76O15  |  Mol. Weight: 869.10 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-but-2-enoate

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Overview

Molecular Formula C46H76O15
Molecular Weight 869.10 g/mol
Canonical SMILES CC=CC(=O)OCC1C(C(C(C(O1)OC2CC3(C(CC(C4C3(CCC4C(C)(CCC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C6(C2C(C(CC6)O)(C)C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy