Glycoside
GD029859
Name:
Scrophuloside AFormula:
C24H26O10Smiles:
COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C(C)=O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.46 | Num_heavy_atoms: | 34 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
