Glycoside
GD035192
Name:
NoneFormula:
C17H25O6N5Smiles:
CCOc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@H](N)C(C)C)[C@H](O)[C@H]1OAglycone:
CCOc1ncnc2c1N=C[N]2.COC(=O)C(N)C(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.42 | Num_heavy_atoms: | 28 |
| TPSA: | 154.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD11617
Formula: C7H7ON4
Smiles:
CCOc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
AD12142
Formula: C6H13O2N
Smiles:
COC(=O)C(N)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 131.18 | Num_heavy_atoms: | 9 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
