Glycoside
GD010337
Name:
NoneFormula:
C28H28O11NClSmiles:
COc1ccc2c(c1)c(CC(=O)OCC(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1Aglycone:
COC(=O)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 577.97 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD08000
Formula: C23H20O6NCl
Smiles:
COC(=O)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.86 | Num_heavy_atoms: | 30 |
| TPSA: | 83.83 | NumAromaticRings: | 3 |
