Summary
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)/C=C/c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C24H28O11/c25-10-14-17(28)18(29)19(30)23(32-14)34-22-16-13(8-9-31-22)20(21-24(16,11-26)35-21)33-15(27)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25-26,28-30H,10-11H2/b7-6+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1InChIKey: BSYHSWKTXMTFNF-NTLZGZQOSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@@H]OC=C[C@@H][C@H]6[C@@]CO))O[C@H]3[C@H]6OC=O)/C=C/cccccc6)))))))))))))))))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)OC1C2C=COC(OC3CCCCO3)C2C2OC12
Scaffold Graph/Node level: OC(CCC1CCCCC1)OC1C2CCOC(OC3CCCCO3)C2C2OC12
Scaffold Graph level: CC(CCC1CCCCC1)CC1C2CC2C2C(CC3CCCCC3)CCCC12
Functional groups: CO; CO[C@H](C)O[C@H]1CCC=CO1; C[C@]1(C)O[C@H]1C; c/C=C/C(=O)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Iridoids monoterpenoids
Synonymous chemical names:picroside 1
External chemical identifiers:CID:71307080; ZINC:ZINC000096023873; MolPort-020-005-735
Chemical structure download