Glycoside
GD015714
Name:
NoneFormula:
C27H20O46S10Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c4)oc4cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c4c3=O)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]Aglycone:
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=c1c(O)c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 46 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | -8.25 | Num_rotatable_bonds: | 26 |
| MolWt: | 1401.08 | Num_heavy_atoms: | 83 |
| TPSA: | 731.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD11384
Formula: C15H6O19S4
Smiles:
O=c1c(O)c(-c2ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)oc2cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c12| HBA: | 19 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 618.46 | Num_heavy_atoms: | 38 |
| TPSA: | 316.16 | NumAromaticRings: | 3 |
