Glycoside
GD136134
Name:
PteroisoaurosideFormula:
C22H22O10Smiles:
COC(=C1C(=O)Oc2c1ccc(O)c2C1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=C1C(=O)Oc2cc(O)ccc21)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD55027
Formula: C16H12O5
Smiles:
COC(=C1C(=O)Oc2cc(O)ccc21)c1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
