Herbacetin 3,8-O-diglucoside
CAS Registry Number®
99224-12-1
No image available.
CAS Name
Herbacetin 3,8-O-diglucosideMolecular Formula
C27H30O17Molecular Mass
626.52Cite this Page
Herbacetin 3,8-O-diglucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99224-12-1 (retrieved ) (CAS RN: 99224-12-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2/t12-,13-,15-,16-,18+,19+,20-,21-,26+,27+/m1/s1
InChIKey
InChIKey=VMOKZQAQPBUNRW-PXJYGDGDSA-N
SMILES
O(C1=C2C(C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O2)C4=CC=C(O)C=C4)=C(O)C=C1O)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C(OC4OC(CO)C(O)C(O)C4O)=C(O)C=C(O)C13)C=5C=CC(O)=CC5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3,8-bis(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- 3,8-Bis(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- Herbacetin 3,8-O-diglucoside
