Glycoside
GD114066
Name:
NoneFormula:
C25H34O7S4Smiles:
CC(C)CSC(SCC(C)C)[C@@H]1OC[C@@H](OS(=O)(=O)c2ccccc2)[C@H]1OS(=O)(=O)c1ccccc1Aglycone:
CC(C)CSCSCC(C)C.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 574.81 | Num_heavy_atoms: | 36 |
| TPSA: | 95.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD27197
Formula: C9H20S2
Smiles:
CC(C)CSCSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 192.39 | Num_heavy_atoms: | 11 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD44852
Formula: C6H6O3S
Smiles:
O=S(=O)(O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.18 | Num_heavy_atoms: | 10 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
