Hyoscyamoside A

ScientificNameLabel

Hyoscyamoside A
PHCD compound ID :	1314
Chemical Names :	Hyoscyamoside A
Molecular Formula :	C33H54O8
Molecular Weight :	578.381869

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
InChi Key :	InChIKey=ZNEIIZNXGCIAAL-XLXCCZENSA-N
PubChem ID :

Rotatable bond count :	3	Rule of five :	1
Hydrogen bond acceptor count :	8	Ionization potential :	9.700225
Hydrogen bond donor count :	4	Electric dipole moment :	3.708
XLogP :	6.198	VDW volume :	563.150554
Molecular weight :	578.381869	HOMO-LUMO gap :	10.887000

Herb list :

Henbane - Hyoscyamus niger - بذرالبنج، بنگ دانه

Refrences & Litretures:


139. Journal:'Res. J. Seed Sci' Year:'2010' Volume:'3' Page:'210' DOI:'' Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'

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