Glycoside
GD007274
Name:
NoneFormula:
C25H28O38S8Smiles:
O=c1c2ccc(O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)cc2oc2cc(O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)ccc12Aglycone:
COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=c1c2ccc(O)cc2oc2cc(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)O1.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -4.08 | Num_rotatable_bonds: | 22 |
| MolWt: | 1193.0 | Num_heavy_atoms: | 71 |
| TPSA: | 575.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
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 |
AD05932
Formula: C13H8O4
Smiles:
O=c1c2ccc(O)cc2oc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.2 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
