Glycoside
GD021882
Name:
NoneFormula:
C21H30O7N4Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OAglycone:
CC(C)(C)C(=O)O.COC(=O)C(C)(C)C.COc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.49 | Num_heavy_atoms: | 32 |
| TPSA: | 134.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD01211
Formula: C6H5ON4
Smiles:
COc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
