Glycoside
GD132731
Name:
NoneFormula:
C47H78O12SSmiles:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(CS(=O)(=O)O)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 9.11 | Num_rotatable_bonds: | 36 |
| MolWt: | 867.2 | Num_heavy_atoms: | 60 |
| TPSA: | 186.12 | 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 |
AD53738
Formula: C41H68O5
Smiles:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.66 |
| AlogP: | 11.39 | Num_rotatable_bonds: | 32 |
| MolWt: | 640.99 | Num_heavy_atoms: | 46 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
