Glycoside
GD074910
Name:
NoneFormula:
C18H23O7N3Smiles:
COc1ccc(-n2nc(C)cc2C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(-n2nc(C)cc2C(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 393.4 | Num_heavy_atoms: | 28 |
| TPSA: | 146.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD34652
Formula: C12H13O2N3
Smiles:
COc1ccc(-n2nc(C)cc2C(N)=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.25 | Num_heavy_atoms: | 17 |
| TPSA: | 70.14 | NumAromaticRings: | 2 |
