Glycoside
GD009812
Name:
6S,9S-ROSEOSIDEFormula:
C19H30O8Smiles:
CC1=CC(=O)CC(C)(C)[C@@]1(O)C=C[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD07665
Formula: C13H20O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
