Helianthoside 4

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL437173
PubChem:	44423118
IUPAC:	[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5-hydroxy-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Standard InChI:	InChI=1S/C64H104O31/c1-24-36(71)40(75)44(79)53(86-24)93-50-47(82)56(89-31(20-66)49(50)92-52-43(78)37(72)28(68)21-84-52)90-35-12-13-60(5)32(61(35,6)23-67)11-14-62(7)33(60)10-9-26-27-17-59(3,4)15-16-64(27,34(70)18-63(26,62)8)58(83)95-57-51(38(73)29(69)22-85-57)94-54-46(81)42(77)48(25(2)87-54)91-55-45(80)41(76)39(74)30(19-65)88-55/h9,24-25,27-57,65-82H,10-23H2,1-8H3/t24-,25-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53-,54-,55-,56-,57-,60-,61-,62+,63+,64+/m0/s1
Standard InChI Key:	FQTQZRLQNYGWHP-BJOYMEBOSA-N
SMILES:	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

Molecular propeties
AlogP:	-8.1515
Hydrogen bonds acceptors:	31
Hydrogen bonds donors:	18
Rotatable bonds:	16
Number of rings:	11
Molecular Weight:	1368.66
Topological polar surface area:	492
Number of aromatic rings:	0
Fsp3:	0.953
Number of carbons:	64

Plant sources

Part of plant	Plant name	Ref.
Plant	Helianthus annuus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.