Scutellarein 7-O-diglucuronide

ScientificNameLabel

Scutellarein 7-O-diglucuronide
PHCD compound ID :	5260
Chemical Names :	Scutellarein 7-O-diglucuronide
Molecular Formula :	C27H26O18
Molecular Weight :	638.111914

More Details :

Names & Synonyms:
Smiles:	OC(=O)[C@@H]1O[C@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C27H26O18/c28-8-3-1-7(2-4-8)10-5-9(29)13-11(41-10)6-12(14(30)15(13)31)42-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-28,30-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m1/s1
InChi Key :	InChIKey=IBLZNWWZRXJQAK-NSHQGHFVSA-N
PubChem ID :

Rotatable bond count :	7	Rule of five :	2
Hydrogen bond acceptor count :	18	Ionization potential :	8.882212
Hydrogen bond donor count :	10	Electric dipole moment :	7.172
XLogP :	-1.043	VDW volume :	523.825244
Molecular weight :	638.111914	HOMO-LUMO gap :	7.701000

Herb list :

European verbena, Vervain - Verbena officinalis L - شاه پسند

Refrences & Litretures:


841. Journal:'LWT - Food Science and Technology' Year:'2011' Volume:'44' Page:'875' DOI:'10.1016/j.lwt.2010.11.035' Title:'Chemical composition, mineral content and antioxidant activity of Verbena of?cinalis L'

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