1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid; (1S,4R)-form, Nitrile, 1-O-β-D-glucopyranoside, 4-O-(6-deoxy-β-D-gulopyranoside)
AlkaPlorer ID: AK296141
Synonym: Passibiflorin
IUPAC Name: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile
Structure
SMILES: CC1OC(OC2C=CC(C#N)(OC3OC(CO)C(O)C(O)C3O)C2)C(O)C(O)C1O
InChI: InChI=1S/C18H27NO11/c1-7-10(21)12(23)14(25)16(27-7)28-8-2-3-18(4-8,6-19)30-17-15(26)13(24)11(22)9(5-20)29-17/h2-3,7-17,20-26H,4-5H2,1H3
InChIKey: WSDAOKMCDDRLAL-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 433.4100000000001
TPSA？: 202.32
MolLogP？: -3.762119999999998
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
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