Aristolactam IIIa; N-β-D-Glucopyranosyl
AlkaPlorer ID: AK289269
Synonym: Aristolactam IIIa N-glucoside
IUPAC Name: 16-hydroxy-10-[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: O=C1C2=C3C(=CC4=CC=C(O)C=C4C3=C3OCOC3=C2)N1C1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C22H19NO9/c24-6-14-17(26)18(27)19(28)22(32-14)23-12-3-8-1-2-9(25)4-10(8)16-15(12)11(21(23)29)5-13-20(16)31-7-30-13/h1-5,14,17-19,22,24-28H,6-7H2
InChIKey: LJQXKFYPXDAXBL-UHFFFAOYSA-N
Reference
The alkaloids and other constituents from the root and stem of Aristolochia elegans
PubChem CID: 78385290
CAS: 80311-26-8
LOTUS: LTS0149918
COCONUT: CNP0312293.4
Source
Properties Information
Molecule Weight: 441.39200000000005
TPSA？: 149.15
MolLogP？: 0.1873999999999996
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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