Glycoside
GD013595
Name:
NoneFormula:
C16H22O4N4Smiles:
OC[C@@H]1O[C@H](n2ccc3c(N4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2N2CCCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.38 | Num_heavy_atoms: | 24 |
| TPSA: | 103.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD10115
Formula: C11H13N4
Smiles:
C1=Cc2c(ncnc2N2CCCCC2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.25 | Num_heavy_atoms: | 15 |
| TPSA: | 43.12 | NumAromaticRings: | 1 |
