Glycoside
GD101074
Name:
NoneFormula:
C20H24O8N2SSmiles:
COC(=O)COc1ccc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1Aglycone:
COC(=O)COc1ccc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.49 | Num_heavy_atoms: | 31 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD42722
Formula: C14H14O3N2S
Smiles:
COC(=O)COc1ccc(Nc2ccc(S)cc2)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.34 | Num_heavy_atoms: | 20 |
| TPSA: | 60.45 | NumAromaticRings: | 2 |
