Glycoside
GD078495
Name:
NoneFormula:
C19H25O6NSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C1(C2CC2)CC1Aglycone:
O=C(Nc1ccc(S)cc1)C1(C2CC2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.48 | Num_heavy_atoms: | 27 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36052
Formula: C13H15ONS
Smiles:
O=C(Nc1ccc(S)cc1)C1(C2CC2)CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.34 | Num_heavy_atoms: | 16 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
