Glycoside
GD010917
Name:
NoneFormula:
C24H29O6N9Smiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNC(=O)[C@H](N)Cc4cncn4COCc4ccccc4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNC(=O)C(N)Cc1cncn1COCc1ccccc1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 539.55 | Num_heavy_atoms: | 39 |
| TPSA: | 221.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD08375
Formula: C15H20O2N4
Smiles:
CNC(=O)C(N)Cc1cncn1COCc1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 288.35 | Num_heavy_atoms: | 21 |
| TPSA: | 82.17 | NumAromaticRings: | 2 |
