Glycoside
GD033604
Name:
NoneFormula:
C25H34O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CN(Cc3ccccc3)C2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)CC1CN(Cc2ccccc2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 526.6 | Num_heavy_atoms: | 38 |
| 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 |
AD21437
Formula: C16H25O2N3
Smiles:
CN(CCC(N)C(=O)O)CC1CN(Cc2ccccc2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 291.4 | Num_heavy_atoms: | 21 |
| TPSA: | 69.8 | NumAromaticRings: | 1 |
