β-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
CAS Registry Number®
115356-00-8
CAS Name
β-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenylMolecular Formula
C27H26O18Molecular Mass
638.48Cite this Page
β-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=115356-00-8 (retrieved ) (CAS RN: 115356-00-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)9-3-11(29)17(33)15(4-9)43-23-10(25(39)40)5-12(30)18(34)21(23)37/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)/t16-,19-,20+,22-,27+/m1/s1
InChIKey
InChIKey=FQQGWAGNNCHGAN-OPVSPXBJSA-N
SMILES
O(C1=C(C(O)=O)C=C(O)C(O)=C1O)C2=CC(C(OCC3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=O)=CC(O)=C2O
Canonical SMILES
O=C(O)C1=CC(O)=C(O)C(O)=C1OC2=CC(=CC(O)=C2O)C(=O)OCC3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C(O)=C3
Other Names for this Substance
- β-D-Glucopyranoside, 4-[[[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
- Isochesnatin