Glycoside
GD122252
Name:
2-{[2-(4a,8-dimethyl-7-oxo-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C22H34O7Smiles:
CC(=O)OC1C(OC(C)(C)C2CCC3(C)CCC(=O)C(C)=C3C2)OCC(O)C1OAglycone:
CC1=C2CC(C(C)(C)O)CCC2(C)CCC1=OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.51 | Num_heavy_atoms: | 29 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD15435
Formula: C15H24O2
Smiles:
CC1=C2CC(C(C)(C)O)CCC2(C)CCC1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
