Aristolactam I N-beta-glucoside

AlkaPlorer ID: AK008150

Synonym: ''

IUPAC Name: 14-methoxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

Structure

SMILES: COC1=CC=CC2=C1C=C1C3=C(C=C4OCOC4=C32)C(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3/t15-,18-,19+,20-,23-/m1/s1

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InChIKey: GIDCUQKCIZAUKW-BSTKLLGTSA-N

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Properties Information

Molecule Weight: 455.4190000000001

TPSA: 138.15

MolLogP: 0.4903999999999993

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information