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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002218

(2S,3S,5S,6S)-2-[[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12S)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one

Formula: C30H38O12  |  Mol. Weight: 590.60 g/mol

IUPAC: (2S,3S,5S,6S)-2-[[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-6-[[(12S)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxan-4-one

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Overview

Molecular Formula C30H38O12
Molecular Weight 590.60 g/mol
Canonical SMILES C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)OC4C(C(=O)C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)C=C3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy