1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid; (1S,4R)-form, Nitrile, 1-O-β-D-glucopyranoside, 4-O-(2,6-dideoxy-β-D-xylo-hexopyranoside)
AlkaPlorer ID: AK296142
Synonym: Passicapsin
IUPAC Name: 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Structure
SMILES: CC1OC(OC2C=CC(C#N)(OC3OC(CO)C(O)C(O)C3O)C2)CC(O)C1O
InChI: InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3
InChIKey: KQTRNMODDGXNSU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Passiflora capsularis | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.4110000000001
TPSA？: 182.09
MolLogP？: -2.732919999999998
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|