Glycoside
GD089539
Name:
NoneFormula:
C15H22O7N5PSSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(N=C4CCSCC4)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N=C2CCSCC2)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.41 | Num_heavy_atoms: | 29 |
| TPSA: | 175.57 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD32724
Formula: C10H10N5S
Smiles:
C1=Nc2c(ncnc2N=C2CCSCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.29 | Num_heavy_atoms: | 16 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
