Glycoside
GD007562
Name:
NoneFormula:
C20H21O11SSmiles:
O=S(=O)([O-])OC[C@@H]1O[C@H](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)[O-].Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.44 | Num_heavy_atoms: | 32 |
| TPSA: | 186.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
