Glycoside
GD126314
Name:
NoneFormula:
C55H86O27SSmiles:
C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2Aglycone:
C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.COS(=O)(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(O)OCC(OC4OC(O)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 19 |
| MolWt: | 1211.33 | Num_heavy_atoms: | 83 |
| TPSA: | 412.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD51100
Formula: C32H48O5
Smiles:
C=C(C)CCCC(C)(OC(C)=O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
