Glycoside
GD121543
Name:
Tinospinoside DFormula:
C27H36O13Smiles:
COC(=O)C1(OC2OC(CO)C(O)C(O)C2O)C2OC2CC2C3(C)CC(c4ccoc4)OC(=O)C3(O)CCC21CAglycone:
COC(=O)C1(O)C2OC2CC2C3(C)CC(c4ccoc4)OC(=O)C3(O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 197.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD48930
Formula: C21H26O8
Smiles:
COC(=O)C1(O)C2OC2CC2C3(C)CC(c4ccoc4)OC(=O)C3(O)CCC21C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 118.73 | NumAromaticRings: | 1 |
