Herbacetin 3,8-O-diglucoside

CAS Registry Number®

99224-12-1

CAS Name

Herbacetin 3,8-O-diglucoside

Molecular Formula

C27H30O17

Molecular Mass

626.52

Cite 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 2024-11-22) (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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration