1-O-beta-D-galactopyranosyl-3-O-linolenylglycerol

ScientificNameLabel

1-O-beta-D-galactopyranosyl-3-O-linolenylglycerol
PHCD compound ID :	4734
Chemical Names :	1-O-beta-D-galactopyranosyl-3-O-linolenylglycerol
Molecular Formula :	C27H48O9
Molecular Weight :	516.329833

More Details :

Names & Synonyms:
Smiles:	CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@@H]1O)O)O)O
InChi :	InChI=1S/C27H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h6-7,9-10,21-22,24-29,31-33H,2-5,8,11-20H2,1H3/b7-6+,10-9+/t21-,22+,24-,25-,26-,27-/m0/s1
InChi Key :	InChIKey=LBHUIJRTHBBWHP-BBZVLYOUSA-N
PubChem ID :

Rotatable bond count :	21	Rule of five :	2
Hydrogen bond acceptor count :	9	Ionization potential :	9.237983
Hydrogen bond donor count :	5	Electric dipole moment :	5.614
XLogP :	5.697	VDW volume :	534.394249
Molecular weight :	516.329833	HOMO-LUMO gap :	9.756000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


750. Journal:'Phytochemistry' Year:'2009' Volume:'70' Page:'924' DOI:'10.1016/j.phytochem.2009.04.019' Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'

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