Glycoside
GD035253
Name:
NoneFormula:
C32H50O13Smiles:
CC(C)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]1CC2Aglycone:
CC(C)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 642.74 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD22317
Formula: C20H30O3
Smiles:
CC(C)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1CC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
