Glycoside
GD101822
Name:
NoneFormula:
C19H22O8N2S2Smiles:
CCOC(=O)c1nc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cs1Aglycone:
CCOC(=O)c1nc(C(=O)Nc2ccc(S)cc2)cs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.53 | Num_heavy_atoms: | 31 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD43113
Formula: C13H12O3N2S2
Smiles:
CCOC(=O)c1nc(C(=O)Nc2ccc(S)cc2)cs1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.38 | Num_heavy_atoms: | 20 |
| TPSA: | 68.29 | NumAromaticRings: | 2 |
