Summary
SMILES: OC[C@H]1O[C@@H](OC(=O)[C@]2(C)CCC[C@@]3([C@@H]2CC[C@]24[C@H]3[C@@H](O)C[C@H](C2)C(=C)C4=O)C)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C26H38O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,22+,24-,25-,26-/m1/s1InChIKey: JSKLOHJUYDOADP-DQGZFUNPSA-N
DeepSMILES: OC[C@H]O[C@@H]OC=O)[C@]C)CCC[C@@][C@@H]6CC[C@][C@H]6[C@@H]O)C[C@H]C6)C=C)C7=O)))))))))))C))))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C=C1C(=O)C23CCC4C(C(=O)OC5CCCCO5)CCCC4C2CCC1C3
Scaffold Graph/Node level: CC1C2CCC3C4CCCC(C(O)OC5CCCCO5)C4CCC3(C2)C1O
Scaffold Graph level: CC(CC1CCCCC1)C1CCCC2C1CCC13CC(CCC21)C(C)C3C
Functional groups: C=C(C)C(C)=O; CO; CO[C@H](C)OC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene glycosides
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Kaurane and Phyllocladane diterpenoids
Synonymous chemical names:paniculosides iii
External chemical identifiers:CID:21593625; ZINC:ZINC000255221709
Chemical structure download