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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025506

(3R,5R)-3-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-10-(hydroxymethyl)-6-methylspiro[4.5]deca-6,9-dien-8-one

Formula: C26H40O12  |  Mol. Weight: 544.60 g/mol

IUPAC: (3R,5R)-3-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-10-(hydroxymethyl)-6-methylspiro[4.5]deca-6,9-dien-8-one

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Overview

Molecular Formula C26H40O12
Molecular Weight 544.60 g/mol
Canonical SMILES CC1=CC(=O)C=C(C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy