Glycoside
GD008087
Name:
NoneFormula:
C19H22O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@H](N)Cc2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)Cc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.42 | Num_heavy_atoms: | 30 |
| TPSA: | 171.63 | 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 |
AD06506
Formula: C10H13O2N
Smiles:
COC(=O)C(N)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
