Glycoside
GD010844
Name:
NoneFormula:
C26H34O10S2Smiles:
COC1OC(C)C(OC(=O)C(C)(C)C)C(OS(=O)(=O)c2ccc(C)cc2)C1OS(=O)(=O)c1ccc(C)cc1Aglycone:
CC(C)(C)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.68 | Num_heavy_atoms: | 38 |
| TPSA: | 131.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
