Glycoside
GD015408
Name:
NoneFormula:
C32H48O14Smiles:
CC(C)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC2Aglycone:
CC(C)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.72 | Num_heavy_atoms: | 46 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD11197
Formula: C20H28O4
Smiles:
CC(C)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
