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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004117

(1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

Formula: C29H40O14  |  Mol. Weight: 612.60 g/mol

IUPAC: (1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

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Overview

Molecular Formula C29H40O14
Molecular Weight 612.60 g/mol
Canonical SMILES CC(C)C1=C2C(C3C4C(CCC(C4(C2=CC(=O)O1)C)O)(C(=O)O3)C)OC5C(C(C(CO5)OC6C(C(C(CO6)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy