Glycoside
GD099268
Name:
NoneFormula:
C16H24O9N5PSSmiles:
C=CCC1(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)CC1Aglycone:
C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C[N]3)CC1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.44 | Num_heavy_atoms: | 32 |
| TPSA: | 209.38 | 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 |
AD38093
Formula: C11H12O2N5S
Smiles:
C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.32 | Num_heavy_atoms: | 19 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
