Glycoside
GD122321
Name:
2-{[2-(4a,8-dimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)propan-2-yl]oxy}-3-(acetyloxy)-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C25H38O8Smiles:
CC(=O)OC1C(OC(C)(C)C2CCC3(C)C=CC(=O)C(C)C3C2)OC(C)C(O)C1OC(C)=OAglycone:
CC1C(=O)C=CC2(C)CCC(C(C)(C)O)CC12Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.57 | Num_heavy_atoms: | 33 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD49277
Formula: C15H24O2
Smiles:
CC1C(=O)C=CC2(C)CCC(C(C)(C)O)CC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
