Summary
SMILES: OCCc1c(C)cc2c(c1C)C(=O)C([C@@H]2O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)(C)CInChI: InChI=1S/C21H30O8/c1-9-7-12-14(10(2)11(9)5-6-22)18(27)21(3,4)19(12)29-20-17(26)16(25)15(24)13(8-23)28-20/h7,13,15-17,19-20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,19-,20+/m1/s1InChIKey: WGTDJCXEVHBDAH-UMYDBDEDSA-N
DeepSMILES: OCCccC)cccc6C))C=O)C[C@@H]5O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))C)C
Scaffold Graph/Node/Bond level: O=C1CC(OC2CCCCO2)c2ccccc21
Scaffold Graph/Node level: OC1CC(OC2CCCCO2)C2CCCCC12
Scaffold Graph level: CC1CC(CC2CCCCC2)C2CCCCC12
Functional groups: CO; CO[C@@H](C)OC; cC(C)=O
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: Sesquiterpenoids
NP Classifier Class: Illudalane sesquiterpenoids
Synonymous chemical names:10-o-beta-d-glucopyranoside-(r)-pterosin d
External chemical identifiers:CID:21670079; ZINC:ZINC000165712190; MolPort-039-052-676
Chemical structure download