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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000814

(13S,14E,15S)-15-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione

Formula: C38H46O18  |  Mol. Weight: 790.80 g/mol

IUPAC: (13S,14E,15S)-15-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione

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Overview

Molecular Formula C38H46O18
Molecular Weight 790.80 g/mol
Canonical SMILES CC=C1C2CC(=O)OCCC3=CC(=C(C=C3)O)OC4=CC=C(CCOC(=O)C2=COC1OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)C=C4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy