Tuberosinone; N-β-D-Glucopyranoside
AlkaPlorer ID: AK316866
Synonym: Tuberosinone N-β-D-glucoside
IUPAC Name: 17-hydroxy-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene-9,10-dione
Structure
SMILES: O=C1C(=O)N(C2OC(CO)C(O)C(O)C2O)C2=CC3=CC=C(O)C=C3C3=C4OCOC4=CC1=C23
InChI: InChI=1S/C23H19NO10/c25-6-14-18(28)19(29)20(30)23(34-14)24-12-3-8-1-2-9(26)4-10(8)16-15(12)11(17(27)22(24)31)5-13-21(16)33-7-32-13/h1-5,14,18-20,23,25-26,28-30H,6-7H2
InChIKey: AQLKJEZWZUVOGC-UHFFFAOYSA-N
Reference
Volatile constituents of Aristolochia argentina
PubChem CID: 162859486
CAS: 81451-88-9
LOTUS: LTS0207501
COCONUT: CNP0122446.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia tuberosa | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.4020000000003
TPSA？: 166.22
MolLogP？: -0.2434999999999989
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|