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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017716

Heraclenol 3'-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]

Formula: C27H34O15  |  Mol. Weight: 598.50 g/mol

IUPAC: 9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

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Overview

Molecular Formula C27H34O15
Molecular Weight 598.50 g/mol
Canonical SMILES CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy