Glycoside
GD140631
Name:
NoneFormula:
C39H50O19Smiles:
CC(C)=CCc1c(OC2(C)OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)c(-c3ccc(O)cc3)oc12Aglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1(O)OC(CO)C(O)C(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 822.81 | Num_heavy_atoms: | 58 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD09118
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
