Stipuleanoside R2

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1288836
PubChem:	52940921
IUPAC:	(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Standard InChI:	InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-38(65)39(73-44-36(63)33(60)30(57)24(19-54)69-44)40(41(75-46)42(66)67)74-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,43+,44-,45-,46+,50-,51+,52+,53-/m0/s1
Standard InChI Key:	ZVGISQJHCGILNM-XTSVDGEESA-N
SMILES:	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O[C@H]2O[C@H]([C@@H]([C@H]2O)O)CO)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-1.4308
Hydrogen bonds acceptors:	9
Hydrogen bonds donors:	5
Rotatable bonds:	3
Number of rings:	9
Molecular Weight:	1088.54
Topological polar surface area:	371
Number of aromatic rings:	0
Fsp3:	0.925
Number of carbons:	53

Plant sources

Part of plant	Plant name	Ref.
Plant	Aralia elata

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.