Glycoside
GD140061
Name:
7-({[3-(acetyloxy)-2-hydroxy-2-(2-hydroxypropan-2-yl)butanoyl]oxy}methyl)-1-[(3-methylbut-2-enoyl)oxy]-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium-4-olateFormula:
C22H33O9NSmiles:
CC(=O)OC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(OC(=O)C=C(C)C)C12)C(C)(C)OAglycone:
CC(C)=CC(=O)OC1CC[N+]2([O-])CC=C(C)C12Sugarmoiety:
CC(=O)OC(C)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 455.5 | Num_heavy_atoms: | 32 |
| TPSA: | 142.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD56473
Formula: C13H19O3N
Smiles:
CC(C)=CC(=O)OC1CC[N+]2([O-])CC=C(C)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.3 | Num_heavy_atoms: | 17 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
