Glycoside
GD104223
Name:
NoneFormula:
C26H33O5N5Smiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](Cn3cc(CN(C)Cc4ccccc4)nn3)[C@@H](O)[C@H]2O)cc1Aglycone:
CN(Cc1ccccc1)Cc1cn(C)nn1.COc1ccc(CNC(C)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 495.58 | Num_heavy_atoms: | 36 |
| TPSA: | 121.97 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD38153
Formula: C12H16N4
Smiles:
CN(Cc1ccccc1)Cc1cn(C)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.29 | Num_heavy_atoms: | 16 |
| TPSA: | 33.95 | NumAromaticRings: | 2 |
