Glycoside
GD026977
Name:
Tinosineside BFormula:
C28H38O14Smiles:
CC(=O)O[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2CC[C@]3(O)C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@H]2[C@H]1OC(C)=OAglycone:
CC(=O)OC1CC(O)C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C2C1OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.6 | Num_heavy_atoms: | 42 |
| TPSA: | 211.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD17756
Formula: C22H28O9
Smiles:
CC(=O)OC1CC(O)C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C2C1OC(C)=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 132.5 | NumAromaticRings: | 1 |
