Glycoside
GD091720
Name:
NoneFormula:
C20H28O7N4Smiles:
COc1ccc(-c2cn(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)c(C)c1Aglycone:
COc1ccc(-c2cn(CCO)nn2)c(C)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.47 | Num_heavy_atoms: | 31 |
| TPSA: | 148.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD40000
Formula: C12H15O2N3
Smiles:
COc1ccc(-c2cn(CCO)nn2)c(C)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 60.17 | NumAromaticRings: | 2 |
