Glycoside
GD028350
Name:
NoneFormula:
C25H30O6N8Smiles:
Cc1ccc(C#CCN(CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1C(N)=OAglycone:
Cc1ccc(C#CCN(C)CCC(N)C(=O)O)cc1C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.57 | Num_heavy_atoms: | 39 |
| TPSA: | 228.96 | 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 |
AD18538
Formula: C16H21O3N3
Smiles:
Cc1ccc(C#CCN(C)CCC(N)C(=O)O)cc1C(N)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 303.36 | Num_heavy_atoms: | 22 |
| TPSA: | 109.65 | NumAromaticRings: | 1 |
