Glycoside
GD150101
Name:
NoneFormula:
C21H34O10SSmiles:
CC(C)=C1CC2(C)C(C)CC(OC3OC(COS(=O)(=O)O)C(O)C(O)C3O)CC2CC1=OAglycone:
CC(C)=C1CC2(C)C(C)CC(O)CC2CC1=O.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.56 | Num_heavy_atoms: | 32 |
| TPSA: | 159.82 | 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 |
AD59979
Formula: C15H24O2
Smiles:
CC(C)=C1CC2(C)C(C)CC(O)CC2CC1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
