Erysotrine; O16-De-Me, O-β-D-glucopyranoside 

AlkaPlorer ID: AK297774

Synonym: Glucoerysodine

IUPAC Name: 2-[(2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2CCN3CC=C4C=CC(OC)CC43C2=C1

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InChI: InChI=1S/C24H31NO8/c1-30-15-4-3-14-6-8-25-7-5-13-9-18(17(31-2)10-16(13)24(14,25)11-15)32-23-22(29)21(28)20(27)19(12-26)33-23/h3-4,6,9-10,15,19-23,26-29H,5,7-8,11-12H2,1-2H3

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InChIKey: LDKVUIURMJHFPP-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 461.5110000000004

TPSA: 121.08

MolLogP: -0.1577999999999988

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information