Glycoside
GD030623
Name:
NoneFormula:
C23H32O6N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CN(Cc3ccoc3)C2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)CC1CN(Cc2ccoc2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.56 | Num_heavy_atoms: | 37 |
| TPSA: | 202.25 | NumAromaticRings: | 3 |
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 |
AD19811
Formula: C14H23O3N3
Smiles:
CN(CCC(N)C(=O)O)CC1CN(Cc2ccoc2)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 281.36 | Num_heavy_atoms: | 20 |
| TPSA: | 82.94 | NumAromaticRings: | 1 |
