3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-β-D-glucopyranoside
Properties
- Molecular formula
- C32H40O19
- Molar mass
- 728.65 g/mol
- Exact mass
- 728.2164 Da
- logP
- -3.57Crippen estimate
- Polar surface area
- 308.9 Ų
- H-bond donors / acceptors
- 10 / 18
- Rotatable bonds
- 15
- Stereocentres
- S, R, S, S, R, S, R, S, S, Rin SMILES atom order
Identifiers
CAS number
174972-80-6SMILES
O=C(CC(O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1InChIKey
PMVCHAWVCIWVLP-KDSCYBBXSA-NInChI
InChI=1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- β-D-Glucopyranoside, 3-carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-
- Parishin C
- Parishin C (glycoside)
Work with 3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-β-D-glucopyranoside
Similar compounds
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Phenyl β-D-glucopyranoside1464-44-450 % similar
Phenyl β-D-galactopyranoside2818-58-850 % similar
Phenyl α-D-glucopyranoside4630-62-050 % similar
Picein530-14-350 % similar
Arbutin497-76-749 % similar
α-Arbutin84380-01-849 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds