Aristolactam IIIa N-beta-glucoside
AlkaPlorer ID: AK052365
Synonym: ''
IUPAC Name: 16-hydroxy-10-[(2R,3R,4R,5R,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: O=C1C2=C3C(=CC4=CC=C(O)C=C4C3=C3OCOC3=C2)N1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
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/t14-,17+,18-,19-,22-/m1/s1
InChIKey: LJQXKFYPXDAXBL-HGLBQAHSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia tuberosa | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|