Glycoside
GD009025
Name:
Tinosineside AFormula:
C26H36O13Smiles:
CC(=O)O[C@H]1[C@H]2[C@@H](CC[C@]3(O)C(=O)O[C@H](c4ccoc4)C[C@@]23C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1OAglycone:
CC(=O)OC1C(O)CC(O)C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 205.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD07130
Formula: C20H26O8
Smiles:
CC(=O)OC1C(O)CC(O)C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 126.43 | NumAromaticRings: | 1 |
