Glycoside
GD109750
Name:
NoneFormula:
C25H50O11SSmiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CS(O)(O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO.CS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 21 |
| MolWt: | 558.73 | Num_heavy_atoms: | 37 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01838
Formula: C19H38O4
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 17 |
| MolWt: | 330.51 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24915
Formula: CH6O3S
Smiles:
CS(O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.12 | Num_heavy_atoms: | 5 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
