Glycoside
GD120516
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-({3,4,5-trihydroxy-6-[(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]oxan-2-yl}methoxy)oxan-4-yl acetateFormula:
C31H50O13Smiles:
CC(=O)OC1C(OCC2OC(OCC=C(C)CCC=C(C)CCC=C(C)CO)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OAglycone:
CC(=CCCC(C)=CCCC(C)=CCO)COSugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 630.73 | Num_heavy_atoms: | 44 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD48101
Formula: C15H26O2
Smiles:
CC(=CCCC(C)=CCCC(C)=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
