Glycoside
GD018904
Name:
TINOSPOSINENSIDE CFormula:
C26H36O12Smiles:
CC(=O)O[C@H]1[C@H]2[C@@H](CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]32C)[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)C2CCC3C(=O)OC(c4ccoc4)CC3(C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD13253
Formula: C20H26O7
Smiles:
CC(=O)OC1C(O)CC(O)C2CCC3C(=O)OC(c4ccoc4)CC3(C)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 378.42 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
