Glycoside
GD030910
Name:
NoneFormula:
C26H33O5N8ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CN(Cc3cccc(Cl)c3)C2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)CC1CN(Cc2cccc(Cl)c2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 561.04 | Num_heavy_atoms: | 39 |
| TPSA: | 189.11 | 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 |
AD19979
Formula: C17H24O2N3Cl
Smiles:
CN(CCC(N)C(=O)O)CC1CN(Cc2cccc(Cl)c2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 325.84 | Num_heavy_atoms: | 22 |
| TPSA: | 69.8 | NumAromaticRings: | 1 |
