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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023883

Mangicrocin

Formula: C45H50O19  |  Mol. Weight: 894.90 g/mol

IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6E,8E,10E,12Z,14E)-2,6,11-trimethyl-15-[2-[3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]acetyl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoate

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Overview

Molecular Formula C45H50O19
Molecular Weight 894.90 g/mol
Canonical SMILES CC(=CC=CC=C(C)C=CC=C(C)OC(=O)CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC4=CC(=C(C=C4C3=O)O)O)O)O)O)O)C=CC=C(C)C(=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