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Substance Name: Herbacetin 3,8-O-diglucoside
RN: 99224-12-1
InChIKey: VMOKZQAQPBUNRW-PXJYGDGDSA-N

Molecular Formula

  • C27-H30-O17

Molecular Weight

  • 626.517
 
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Names and Synonyms

Results Name

  • Herbacetin 3,8-O-diglucoside

Synonym

  • Herbacetin 3,8-O-diglucoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3,8-bis(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 99224-12-1

System Generated Number

  • 0099224121

Structure Descriptors

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

VMOKZQAQPBUNRW-PXJYGDGDSA-N

Smiles

OC[C@H]1O[C@@H](OC2=C(Oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc(O)c3C2=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O