Glycoside
GD032071
Name:
NoneFormula:
C25H33O5N8ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCNCCc2ccc(Cl)cc2)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCNCCc1ccc(Cl)cc1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 549.03 | Num_heavy_atoms: | 38 |
| TPSA: | 197.9 | 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 |
AD09793
Formula: C16H24O2N3Cl
Smiles:
CN(CCNCCc1ccc(Cl)cc1)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 313.83 | Num_heavy_atoms: | 21 |
| TPSA: | 78.59 | NumAromaticRings: | 1 |
