Glycoside
GD027980
Name:
NoneFormula:
C17H29O12SSmiles:
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)[O-]Aglycone:
CCC(SC)C(=O)[O-]Sugarmoiety:
COC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.47 | Num_heavy_atoms: | 30 |
| TPSA: | 198.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD03899
Formula: C5H9O2S
Smiles:
CCC(SC)C(=O)[O-]| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 133.19 | Num_heavy_atoms: | 8 |
| TPSA: | 40.13 | NumAromaticRings: | 0 |
