Glycoside
GD152361
Name:
Byzantionoside B 6'-O-SulfateFormula:
C19H32O10SSmiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)O.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.52 | Num_heavy_atoms: | 30 |
| 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 |
AD06643
Formula: C13H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
