Glycoside
GD121225
Name:
methyl 5-{2,5,5,8a-tetramethyl-6-[(2-methylbut-2-enoyl)oxy]-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-3-methylpentanoateFormula:
C40H60O14Smiles:
CC=C(C)C(=O)OC1C(OC2OC(COC(C)=O)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)C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 176.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
