Glycoside
GD076657
Name:
NoneFormula:
C12H18O7N3PSSmiles:
CSc1ncnc2c1ccn2[C@@H]1O[C@@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O.CSc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.33 | Num_heavy_atoms: | 24 |
| TPSA: | 150.32 | 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 |
AD08218
Formula: C7H6N3S
Smiles:
CSc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 11 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
