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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037661

Camelliin B

Formula: C75H52O48  |  Mol. Weight: 1721.20 g/mol

IUPAC: [38-formyl-4,5,6,21,22,23,26,27,31,32,33,45,46,47,50,51,57-heptadecahydroxy-9,18,36,42,54,60-hexaoxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,17,29,37,41,55,61,62-nonaoxadecacyclo[38.11.6.414,28.111,15.03,8.019,24.030,35.043,48.049,53.025,59]dohexaconta-1(51),3,5,7,19,21,23,25,27,30,32,34,43,45,47,49,52,58-octadecaen-39-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C75H52O48
Molecular Weight 1721.20 g/mol
Canonical SMILES C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C3=CC(=C(C(=C3OC3=C(C(=C(C(=C3)C(=O)O1)C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy