Glycoside
GD018693
Name:
NoneFormula:
C17H30O12SSmiles:
CCC(SC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](OC)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CCC(SC)C(=O)OSugarmoiety:
COC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.48 | Num_heavy_atoms: | 30 |
| TPSA: | 195.6 | 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 |
