Glycoside
GD030894
Name:
LeptosinFormula:
C22H22O11Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OAglycone:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD19967
Formula: C16H12O6
Smiles:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
