Glycoside
GD034140
Name:
NoneFormula:
C20H24O9SSmiles:
O=S(=O)(Oc1ccc(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1Aglycone:
O=S(=O)(Oc1ccc(CCO)cc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.47 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD21734
Formula: C14H14O4S
Smiles:
O=S(=O)(Oc1ccc(CCO)cc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.33 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
