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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024099

5-[[6-[3-[[6-[[5-[[6-[2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula: C76H106O39  |  Mol. Weight: 1643.60 g/mol

IUPAC: 5-[[6-[3-[[6-[[5-[[6-[2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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Overview

Molecular Formula C76H106O39
Molecular Weight 1643.60 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OCC(CC2=CC(=C(C=C2)O)OC)C(CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)COC(=O)CC(C)(CC(=O)OCC5C(C(C(C(O5)OCC(CC6=CC(=C(C=C6)O)OC)C(CC7=CC(=C(C=C7)O)OC)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy