Glycoside
GD036784
Name:
NoneFormula:
C21H27O5N3Smiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNCc3ccccn3)[C@H](O)[C@H]2O)cc1Aglycone:
CNCc1ccccn1.COc1ccc(CNC(C)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 112.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
AD21381
Formula: C10H13O2N
Smiles:
COc1ccc(CNC(C)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
