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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035935

Protocrocin

Formula: C76H116O34  |  Mol. Weight: 1573.70 g/mol

IUPAC: (2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(1Z,3E,5E,7E,9Z,11E,13E,15Z,17Z)-4,7,12,15-tetramethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1-[2,6,6-trimethyl-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]-18-[2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

Overview

Molecular Formula C76H116O34
Molecular Weight 1573.70 g/mol
Canonical SMILES CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=C(C=C(C)C=CC(=CC=CC=C(C)C=CC(=CC(=CC3=C(CC(CC3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy