Glycoside
GD029902
Name:
3-methyl-1-[(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)oxy]-1-oxopentan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C36H64O16Smiles:
CC[C@H](C)[C@H](O)C(=O)O[C@H](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)CC)[C@H](C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 25 |
| MolWt: | 752.89 | Num_heavy_atoms: | 52 |
| TPSA: | 252.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD00641
Formula: C30H52O10
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC)C(C)CC| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 19 |
| MolWt: | 572.74 | Num_heavy_atoms: | 40 |
| TPSA: | 142.5 | NumAromaticRings: | 0 |
