Glycoside
GD078322
Name:
NoneFormula:
C19H21O5N5Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Nc3cccc4c3OCC4)ncnc21Aglycone:
C1=Nc2c(ncnc2Nc2cccc3c2OCC3)[N]1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 123.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD35948
Formula: C13H10ON5
Smiles:
C1=Nc2c(ncnc2Nc2cccc3c2OCC3)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
