Glycoside
GD012779
Name:
NoneFormula:
C21H37O12SSmiles:
CCCCCC(=O)OCC(COC(=O)CCCCC)O[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(=O)OCC(O)COC(=O)CCCCC.CS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 16 |
| MolWt: | 513.58 | Num_heavy_atoms: | 34 |
| TPSA: | 188.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD00413
Formula: CH3O3S
Smiles:
CS(=O)(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 5 |
| TPSA: | 57.2 | NumAromaticRings: | 0 |
AD00414
Formula: C15H28O5
Smiles:
CCCCCC(=O)OCC(O)COC(=O)CCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 288.38 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
