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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005483

(2R,3R,4S,5S,6R)-2-[[(3S,5S,10S,13S,14R,16R)-17-(1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-5-yl)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C35H52O12  |  Mol. Weight: 664.80 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(3S,5S,10S,13S,14R,16R)-17-(1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-5-yl)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C35H52O12
Molecular Weight 664.80 g/mol
Canonical SMILES CC1COC2(C1(C3C(O2)C(C(O3)O)C4C(CC5C4(CC=C6C5=CCC7C6(CCC(C7)OC8C(C(C(C(O8)CO)O)O)O)C)C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy