Glycoside
GD020978
Name:
TINOSINENSIDEFormula:
C26H40O11Smiles:
CC1=CC(=O)[C@@H]2C3[C@H]1C2(C)CC[C@H]3C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC(=O)C2C3C(C(C)(C)O)CCC2(C)C13Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.6 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD14400
Formula: C15H22O2
Smiles:
CC1=CC(=O)C2C3C(C(C)(C)O)CCC2(C)C13| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
