Glycoside
GD119088
Name:
1,1,4a,6-tetramethyl-5-(3-methyl-5-phenoxypent-3-en-1-yl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 2-methylbut-2-enoateFormula:
C37H54O8Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(O)C(O)C2O)CC2(C)C(CCC(C)=CCOc3ccccc3)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=CCOc3ccccc3)C(C)=CCC2C1(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.83 | Num_heavy_atoms: | 45 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD47671
Formula: C31H44O4
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=CCOc3ccccc3)C(C)=CCC2C1(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 7.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.69 | Num_heavy_atoms: | 35 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
