Glycoside
GD013406
Name:
TINOSPOSINENSIDE AFormula:
C27H36O12Smiles:
CC(=O)O[C@@H]1CCC(=O)[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@H]12Aglycone:
CC(=O)OC1CCC(=O)C2(CO)CCC3C(=O)OC(c4ccoc4)CC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 182.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD10008
Formula: C21H26O7
Smiles:
CC(=O)OC1CCC(=O)C2(CO)CCC3C(=O)OC(c4ccoc4)CC3(C)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 103.04 | NumAromaticRings: | 1 |
