Glycoside
GD033331
Name:
NoneFormula:
C17H21O7NSSmiles:
CCOC(=O)c1ccc(N2C(=O)CS[C@H]2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
CCOC(=O)c1ccc(N2CSCC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.42 | Num_heavy_atoms: | 26 |
| TPSA: | 116.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD21286
Formula: C12H13O3NS
Smiles:
CCOC(=O)c1ccc(N2CSCC2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.31 | Num_heavy_atoms: | 17 |
| TPSA: | 46.61 | NumAromaticRings: | 1 |
