Glycoside
GD006598
Name:
NoneFormula:
C18H21O5N5Smiles:
OC[C@@H]1OC(n2cnc3c(NOCCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NOCCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.4 | Num_heavy_atoms: | 28 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD05448
Formula: C13H12ON5
Smiles:
C1=Nc2c(ncnc2NOCCc2ccccc2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.27 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
