Ningpeisine; O-β-D-Glucopyranoside 

AlkaPlorer ID: AK307785

Synonym: Ningpeisinoside

IUPAC Name: 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10,11b-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one

Structure

SMILES: CC1CCC(C(C)C2CCC3C(CC4C3CC(=O)C3CC(OC5OC(CO)C(O)C(O)C5O)CCC34C)C2C)N(C)C1

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InChI: InChI=1S/C34H57NO7/c1-17-6-9-27(35(5)15-17)19(3)21-7-8-22-23(18(21)2)13-25-24(22)14-28(37)26-12-20(10-11-34(25,26)4)41-33-32(40)31(39)30(38)29(16-36)42-33/h17-27,29-33,36,38-40H,6-16H2,1-5H3

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InChIKey: OAWUSFAEJKJJFY-UHFFFAOYSA-N

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Reference

PubChem CID: 73157230

CAS: 139742-29-3

COCONUT: CNP0183946.2

Properties Information

Molecule Weight: 591.83

TPSA: 119.69

MolLogP: 3.231700000000001

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information