Glycoside
GD101418
Name:
NoneFormula:
C21H22O7N2S2Smiles:
O=C(Cn1ccc2sccc2c1=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(Cn1ccc2sccc2c1=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.55 | Num_heavy_atoms: | 32 |
| TPSA: | 141.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD42931
Formula: C15H12O2N2S2
Smiles:
O=C(Cn1ccc2sccc2c1=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.41 | Num_heavy_atoms: | 21 |
| TPSA: | 51.1 | NumAromaticRings: | 3 |
