Glycoside
GD078756
Name:
NoneFormula:
C19H25O5N2SSmiles:
Cc1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc(C)[nH+]1Aglycone:
Cc1cc(Nc2ccc(S)cc2)cc(C)[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 393.49 | Num_heavy_atoms: | 27 |
| TPSA: | 116.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD36197
Formula: C13H15N2S
Smiles:
Cc1cc(Nc2ccc(S)cc2)cc(C)[nH+]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.34 | Num_heavy_atoms: | 16 |
| TPSA: | 26.17 | NumAromaticRings: | 2 |
