Cas no 103303-00-0 (3-O-beta-D-Glucopyranoside-3,3',4',5,7-Pentahydroxyflavan)
103303-00-0 structure
Product Name:3-O-beta-D-Glucopyranoside-3,3',4',5,7-Pentahydroxyflavan
CAS No:103303-00-0
MF:C21H24O11
MW:452.408667564392
CID:2005270
PubChem ID:14104301
Update Time:2025-04-21
3-O-beta-D-Glucopyranoside-3,3',4',5,7-Pentahydroxyflavan Chemical and Physical Properties
Names and Identifiers
-
- 3-O-beta-D-Glucopyranoside-3,3',4',5,7-Pentahydroxyflavan
- 103303-00-0
- DTXSID401115254
- (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl beta-D-glucopyranoside
- SCHEMBL1974650
- CHEBI:191722
- 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- Epicatechin 3-glucoside
- SCHEMBL23484412
- Epicatechin 3-O-beta-D-allopyranoside
- Epicatechin 3-O-beta-D-glucopyranoside
- (+)-Catechin 3-O-beta-D-galactopyranoside
- (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl I(2)-D-glucopyranoside
- (2R,3R,4S,5S,6R)-2-(((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- (2R,3R,4S,5S,6R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
-
- Inchi： 1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2/t15-,16-,17-,18+,19-,20-,21-/m1/s1
- InChI Key： YOVYWMDLYSJYPO-UGUVDVTISA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1CC2C(=CC(=CC=2O[C@@H]1C1C=CC(=C(C=1)O)O)O)O)O)O)O
Computed Properties
- Exact Mass: 452.13186158g/mol
- Monoisotopic Mass: 452.13186158g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 623
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 190?2
3-O-beta-D-Glucopyranoside-3,3',4',5,7-Pentahydroxyflavan Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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