Glycoside
GD129675
Name:
Isoswertisin 2''-AcetateFormula:
C24H24O11Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1OC(CO)C(O)C(O)C1OC(C)=OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
