Glycoside
GD060406
Name:
NoneFormula:
C16H21O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCC45CCC5)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC23CCC3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.38 | Num_heavy_atoms: | 25 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD29486
Formula: C11H12N5
Smiles:
C1=Nc2c(ncnc2N2CCC23CCC3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
