Phyto4Health

Oblonganoside J

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2253397
PubChem: 16109699
IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5S,7R,10R,11R,14R,15S,18S,21R,22R,23S)-22-hydroxy-7-(hydroxymethyl)-2,10,14,15,21,22-hexamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylate
Standard InChI: InChI=1S/C38H60O11/c1-20-9-14-38(32(44)49-31-29(43)28(42)27(41)22(17-39)47-31)16-15-35(4)21(30(38)37(20,6)45)7-8-24-33(2)12-11-25-34(3,19-46-26(18-40)48-25)23(33)10-13-36(24,35)5/h7,20,22-31,39-43,45H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,33+,34+,35-,36-,37-,38+/m1/s1
Standard InChI Key: OOALYLWGJHIEKK-XFCMFZKPSA-N
SMILES: OC[C@@H]1OC[C@@]2([C@@H](O1)CC[C@]1([C@H]2CC[C@@]2([C@@H]1CC=C1[C@@]2(C)CC[C@@]2([C@H]1[C@](C)(O)[C@@H](CC2)C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C

Molecular propeties

AlogP: 2.82
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 7
Molecular Weight: 692.41
Topological polar surface area: 175
Number of aromatic rings: 0
Fsp3: 0.921
Number of carbons: 38

Plant sources

Part of plant Plant name Ref.
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.