Glycoside
GD000734
Name:
NoneFormula:
C28H31O5N7Smiles:
CN(C)c1ccc(CNC(=O)CC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
CCC(=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: | 0.32 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.6 | Num_heavy_atoms: | 40 |
| TPSA: | 154.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00782
Formula: C12H18ON2
Smiles:
CCC(=O)NCc1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.29 | Num_heavy_atoms: | 15 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
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 |
