Glycoside
GD017037
Name:
NoneFormula:
C27H51O11SSmiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.CS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 23 |
| MolWt: | 583.76 | Num_heavy_atoms: | 39 |
| TPSA: | 182.88 | 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 |
AD12204
Formula: C21H42O4
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 19 |
| MolWt: | 358.56 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
