Glabratine; De(glucosyloxy), N1-β-D-glucopyranosyl 

AlkaPlorer ID: AK299236

Synonym: Lagamboside

IUPAC Name: methyl 2-(1-hydroxybut-3-en-2-yl)-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizine-3-carboxylate

Structure

SMILES: C=CC(CO)C1CC2C3=C(CCN2C=C1C(=O)OC)C1=CC=CC=C1N3C1OC(CO)C(O)C(O)C1O

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InChI: InChI=1S/C27H34N2O8/c1-3-14(12-30)17-10-20-22-16(8-9-28(20)11-18(17)27(35)36-2)15-6-4-5-7-19(15)29(22)26-25(34)24(33)23(32)21(13-31)37-26/h3-7,11,14,17,20-21,23-26,30-34H,1,8-10,12-13H2,2H3

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InChIKey: BMZKMUKNPYBWIN-UHFFFAOYSA-N

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Reference

Marine natural products

PubChem CID: 162913260

COCONUT: CNP0182313.1

Source

Properties Information

Molecule Weight: 514.5750000000002

TPSA: 144.85

MolLogP: 0.3841999999999997

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information