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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001975

[(1R,2R,3S,4S,4aR,11bR)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] (3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

Formula: C24H31NO15  |  Mol. Weight: 573.50 g/mol

IUPAC: [(1R,2R,3S,4S,4aR,11bR)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] (3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

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Overview

Molecular Formula C24H31NO15
Molecular Weight 573.50 g/mol
Canonical SMILES CC(CC(=O)OC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy