Glycoside
GD000959
Name:
NoneFormula:
C21H25O5N5Smiles:
COc1ccc2c(c1)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)CCC2Aglycone:
COc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD01001
Formula: C16H16ON5
Smiles:
COc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CCC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.34 | Num_heavy_atoms: | 22 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
