Glycoside
GD016116
Name:
NoneFormula:
C16H21O5N5Smiles:
OC[C@@H]1OC(n2cnc3c(NC4CCC5OC5C4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.37 | Num_heavy_atoms: | 26 |
| TPSA: | 138.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD10441
Formula: C11H12ON5
Smiles:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.25 | Num_heavy_atoms: | 17 |
| TPSA: | 76.8 | NumAromaticRings: | 1 |
