Glycoside
GD122169
Name:
5-[5-(acetyloxy)-3-methylpentyl]-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 2-methylbut-2-enoateFormula:
C39H60O12Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC2(C)C(CCC(C)CCOC(C)=O)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)CCOC(C)=O)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: | 0.77 |
| AlogP: | 6.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD49212
Formula: C27H44O5
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)CCOC(C)=O)C(C)=CCC2C1(C)C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
