99217-78-4 Purity
98%
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Specification
The molecular formula of Herbacetin-3,8-diglucopyranoside is C27H30O17.
Herbacetin-3,8-diglucopyranoside was first created in PubChem on August 9, 2005.
The molecular weight of Herbacetin-3,8-diglucopyranoside is 626.5 g/mol.
The IUPAC name of Herbacetin-3,8-diglucopyranoside is 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one.
The InChI key of Herbacetin-3,8-diglucopyranoside is VMOKZQAQPBUNRW-PXJYGDGDSA-N.
The Canonical SMILES representation of Herbacetin-3,8-diglucopyranoside is C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O.
The CAS ID of Herbacetin-3,8-diglucopyranoside is 99224-12-1.
There are 11 hydrogen bond donor counts in Herbacetin-3,8-diglucopyranoside.
The XLogP3-AA value of Herbacetin-3,8-diglucopyranoside is -1.4.
The topological polar surface area of Herbacetin-3,8-diglucopyranoside is 286 Å2.