Glycoside
GD078443
Name:
NoneFormula:
C18H27O6NSSmiles:
CC(C)[C@H](C)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)C(C)C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.48 | Num_heavy_atoms: | 26 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36022
Formula: C12H17ONS
Smiles:
CC(C)C(C)C(=O)Nc1ccc(S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 223.34 | Num_heavy_atoms: | 15 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
