Glycoside
GD034744
Name:
Citrusin DFormula:
C16H22O8Smiles:
COc1cc(C=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD05908
Formula: C10H12O3
Smiles:
COc1cc(C=CCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
