Glycoside
GD101857
Name:
NoneFormula:
C20H22O8N2SSmiles:
COC(=O)c1cncc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c1Aglycone:
COC(=O)c1cncc(C(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.47 | Num_heavy_atoms: | 31 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD43126
Formula: C14H12O3N2S
Smiles:
COC(=O)c1cncc(C(=O)Nc2ccc(S)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.33 | Num_heavy_atoms: | 20 |
| TPSA: | 68.29 | NumAromaticRings: | 2 |
