4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
CAS Registry Number®
131559-50-7
CAS Name
4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-Molecular Formula
C39H50O25Molecular Mass
918.80Cite this Page
4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=131559-50-7 (retrieved ) (CAS RN: 131559-50-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)29(52)35(64-38-32(55)28(51)23(46)18(9-41)61-38)39(62-19)63-34-25(48)20-15(43)6-14(58-37-31(54)27(50)22(45)17(8-40)60-37)7-16(20)59-33(34)12-2-4-13(42)5-3-12/h2-7,11,17-19,21-24,26-32,35-47,49-55H,8-10H2,1H3
InChIKey
InChIKey=VQNNVXIDBZIDCO-UHFFFAOYSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2)C4=CC=C(O)C=C4)C5C(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C(COC7C(O)C(O)C(O)C(C)O7)O5
Canonical SMILES
O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OC(CO)C(O)C(O)C4O)=C(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C15)C=7C=CC(O)=CC7
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-