Gypenoside Xvii

Representations & DB's id
ChEBI:	CHEBI:77155
ChEMBL:	CHEMBL504441
PubChem:	44584555
IUPAC:	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Standard InChI:	InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1
Standard InChI Key:	ZRBFCAALKKNCJG-SJYBZOGZSA-N
SMILES:	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@]([C@H]3CC[C@@]4([C@@H]3[C@H](O)C[C@H]3[C@@]4(C)CC[C@@H]4[C@]3(C)CC[C@@H](C4(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.03
Hydrogen bonds acceptors:	18
Hydrogen bonds donors:	12
Rotatable bonds:	13
Number of rings:	7
Molecular Weight:	946.55
Topological polar surface area:	298
Number of aromatic rings:	0
Fsp3:	0.958
Number of carbons:	48

Plant sources

Part of plant	Plant name	Ref.
Radix	Panax ginseng

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
IC50	250000 nM	DNA topoisomerase II alpha	P11388
IC50	250000 nM	DNA topoisomerase I	P11387
Potency	29081 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Others	101.9 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874
Others	122 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874