Glycoside
GD029857
Name:
NoneFormula:
C15H28O11SSmiles:
CCCCCC(=O)OCC(CO)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(=O)OCC(O)CO.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 416.45 | Num_heavy_atoms: | 27 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD10478
Formula: C9H18O4
Smiles:
CCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 190.24 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
