Glycoside
GD092539
Name:
NoneFormula:
C17H22O7N5PSmiles:
O[C@@H]1[C@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.37 | Num_heavy_atoms: | 30 |
| TPSA: | 175.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
