Glycoside
GD135845
Name:
methyl 5-{2,5,5,8a-tetramethyl-6-[(2-methylbut-2-enoyl)oxy]-7-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-3-methylpentanoateFormula:
C38H58O12Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC2(C)C(CCC(C)CC(=O)OC)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)CC(=O)OC)C(C)=CCC2C1(C)CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.76 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 706.87 | Num_heavy_atoms: | 50 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD48776
Formula: C26H42O5
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)CC(=O)OC)C(C)=CCC2C1(C)C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.62 | Num_heavy_atoms: | 31 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
