Glycoside
GD107151
Name:
3-methyl-1-{[3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]pentan-2-yl}oxy)-1-oxopentan-2-yl]oxy}-1-oxopentan-2-yl 2-(acetyloxy)-3-methylpentanoateFormula:
C32H56O15Smiles:
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 15 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 22 |
| MolWt: | 680.78 | Num_heavy_atoms: | 47 |
| TPSA: | 232.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD44282
Formula: C26H44O9
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(C)=O)C(C)CC)C(C)CC)C(C)CC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.81 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 122.27 | NumAromaticRings: | 0 |
