Glycoside
GD090817
Name:
NoneFormula:
C20H22O6N4SSmiles:
O=C(Cn1nc2ccccc2n1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
O=C(Cn1nc2ccccc2n1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD39535
Formula: C14H12ON4S
Smiles:
O=C(Cn1nc2ccccc2n1)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.34 | Num_heavy_atoms: | 20 |
| TPSA: | 59.81 | NumAromaticRings: | 3 |
