Glycoside
GD025490
Name:
TINOSPOSINENSIDE BFormula:
C28H38O13Smiles:
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@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@H]2[C@H]1OC(C)=OAglycone:
CC(=O)OC1CC(O)C2CCC3C(=O)OC(c4ccoc4)CC3(C)C2C1OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 191.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD16895
Formula: C22H28O8
Smiles:
CC(=O)OC1CC(O)C2CCC3C(=O)OC(c4ccoc4)CC3(C)C2C1OC(C)=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 112.27 | NumAromaticRings: | 1 |
