Glycoside
GD155922
Name:
NoneFormula:
C33H58O14SSmiles:
CC(C)C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)COC1OC(COS(=O)(=O)O)C(O)C1OAglycone:
CC(C)C(CO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 710.88 | Num_heavy_atoms: | 48 |
| TPSA: | 243.9 | 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 |
AD48572
Formula: C28H50O7
Smiles:
CC(C)C(CO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.7 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
