Glycoside
GD010127
Name:
NoneFormula:
C28H29O5N7Smiles:
CN(C)c1ccc(CNC(=O)C=C[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
C=CC(=O)NCc1ccc(N(C)C)cc1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 543.58 | Num_heavy_atoms: | 40 |
| TPSA: | 154.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD07865
Formula: C12H16ON2
Smiles:
C=CC(=O)NCc1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
