Glycoside
GD132093
Name:
NoneFormula:
C21H18O14SSmiles:
O=C(O)C1OC(Oc2cc(O)c3c(=O)c(-c4ccc(OS(=O)(=O)O)cc4)coc3c2)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.43 | Num_heavy_atoms: | 36 |
| TPSA: | 230.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD53477
Formula: C15H10O8S
Smiles:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.3 | Num_heavy_atoms: | 24 |
| TPSA: | 134.27 | NumAromaticRings: | 3 |
