Glycoside
GD012919
Name:
NoneFormula:
C29H30O6NClSmiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc(-c3ccc(Cl)cc3)c(C(=O)NCc3ccccc3)c2)OC1(C)CAglycone:
O=C(NCc1ccccc1)c1cc(O)ccc1-c1ccc(Cl)cc1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.0 | Num_heavy_atoms: | 36 |
| TPSA: | 97.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD09700
Formula: C21H16O2NCl
Smiles:
O=C(NCc1ccccc1)c1cc(O)ccc1-c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.81 | Num_heavy_atoms: | 24 |
| TPSA: | 49.33 | NumAromaticRings: | 3 |
