Glycoside
GD078436
Name:
NoneFormula:
C19H22O5N4Smiles:
Cc1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1COAglycone:
Cc1cc(Nc2ncnc3c2C=C[N]3)ccc1COSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.41 | Num_heavy_atoms: | 28 |
| TPSA: | 132.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD36017
Formula: C14H13ON4
Smiles:
Cc1cc(Nc2ncnc3c2C=C[N]3)ccc1CO| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 72.14 | NumAromaticRings: | 2 |
