Glycoside
GD003806
Name:
NoneFormula:
C23H23O4N5Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3ccccc3C#Cc3ccccc3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1ccccc1C#Cc1ccccc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.47 | Num_heavy_atoms: | 32 |
| TPSA: | 135.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD03406
Formula: C16H15N
Smiles:
CNCc1ccccc1C#Cc1ccccc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 221.3 | Num_heavy_atoms: | 17 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
