Glycoside
GD144380
Name:
SchoenosideFormula:
C21H22O10Smiles:
COc1cc2cc(-c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3)oc2cc1OAglycone:
COc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 162.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD58025
Formula: C15H12O5
Smiles:
COc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 83.06 | NumAromaticRings: | 3 |
