Glycoside
GD003600
Name:
NoneFormula:
C17H18O5N4Smiles:
OC[C@@H]1O[C@H](n2cnc3c(OCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2OCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD03254
Formula: C12H9ON4
Smiles:
C1=Nc2c(ncnc2OCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
