Glycoside
GD029031
Name:
NoneFormula:
C21H28O9Smiles:
Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2Aglycone:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)(CO)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD18921
Formula: C15H20O3
Smiles:
Cc1cc2c(c(C)c1CCO)C(=O)C(C)(CO)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
