Glycoside
GD014389
Name:
NoneFormula:
C28H26O6N8Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CNC(=O)C=Cc2ccc(C(=O)Nc3cccc4c3CNC4=O)cc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C=Cc1ccc(C(=O)Nc2cccc3c2CNC3=O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.57 | Num_heavy_atoms: | 42 |
| TPSA: | 206.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10583
Formula: C19H17O3N3
Smiles:
CNC(=O)C=Cc1ccc(C(=O)Nc2cccc3c2CNC3=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.36 | Num_heavy_atoms: | 25 |
| TPSA: | 87.3 | NumAromaticRings: | 2 |
