1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid; (1ξ,4ξ)-form, Nitrile, 1-O-[β-D-rhamnopyranosyl-(1→6)-β-D-glucopyranoside], 4-O-sulfate
AlkaPlorer ID: AK296144
Synonym: Passicoccin
IUPAC Name: [4-cyano-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulfate
Structure
SMILES: CC1OC(OCC2OC(OC3(C#N)C=CC(OS(=O)(=O)O)C3)C(O)C(O)C2O)C(O)C(O)C1O
InChI: InChI=1S/C18H27NO14S/c1-7-10(20)12(22)14(24)16(30-7)29-5-9-11(21)13(23)15(25)17(31-9)32-18(6-19)3-2-8(4-18)33-34(26,27)28/h2-3,7-17,20-25H,4-5H2,1H3,(H,26,27,28)
InChIKey: AFTIHDWVYIIJKS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Passiflora coccinea | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 513.4740000000002
TPSA？: 245.69
MolLogP？: -3.9350199999999966
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|