Glycoside
GD003522
Name:
NoneFormula:
C11H20O7SSmiles:
CCC(SC[C@@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CCC(SC)C(=O)OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.34 | Num_heavy_atoms: | 19 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD03195
Formula: C5H10O2S
Smiles:
CCC(SC)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.2 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
