Glycoside
GD001465
Name:
NoneFormula:
C14H15O7N3PS2Smiles:
CSc1ncnc2c1c1ccsc1n2[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])O.CSc1ncnc2c1-c1ccsc1[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.4 | Num_heavy_atoms: | 27 |
| TPSA: | 149.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD01466
Formula: C9H6N3S2
Smiles:
CSc1ncnc2c1-c1ccsc1[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.3 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
