Glycoside
GD100621
Name:
NoneFormula:
C17H28O9N5PSmiles:
CCC(CC)COC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CCC(CC)COC(=O)Nc1ncnc2c1N=C[N]2.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 477.41 | Num_heavy_atoms: | 32 |
| TPSA: | 201.54 | 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 |
AD42472
Formula: C12H16O2N5
Smiles:
CCC(CC)COC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
