Glycoside
GD034699
Name:
NoneFormula:
C20H22O12SSmiles:
O=C(O)[C@@H]1O[C@H](Oc2cc(O)cc(CCc3ccc(OS(=O)(=O)O)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)Oc1ccc(CCc2cc(O)cc(O)c2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.45 | Num_heavy_atoms: | 33 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD22027
Formula: C14H14O6S
Smiles:
O=S(=O)(O)Oc1ccc(CCc2cc(O)cc(O)c2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.33 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
