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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014502

(2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

Formula: C35H58O10  |  Mol. Weight: 638.80 g/mol

IUPAC: (2S,3R,4S,5R)-2-[[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17S)-13,14,17-trihydroxy-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

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Overview

Molecular Formula C35H58O10
Molecular Weight 638.80 g/mol
Canonical SMILES CC1(C2CCC3C4(C(C(C(C4(C(CC35C2(C5)CCC1OC6C(C(C(CO6)O)O)O)O)C)C7(CCC(O7)C(C)(C)O)C)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy