Glycoside
GD127000
Name:
5-[4,5-bis(acetyloxy)-3-methylidenepentyl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 3-methylbut-2-enoateFormula:
C41H60O14Smiles:
C=C(CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)CC12C)C(COC(C)=O)OC(C)=OAglycone:
C=C(CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12C)C(COC(C)=O)OC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 776.92 | Num_heavy_atoms: | 55 |
| TPSA: | 176.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD51407
Formula: C29H44O7
Smiles:
C=C(CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12C)C(COC(C)=O)OC(C)=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
