Glycoside
GD016817
Name:
NoneFormula:
C19H21O5N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCOc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD12061
Formula: C14H12ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOc3ccccc32)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
