Glycoside
GD151424
Name:
7-({[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxy}methyl)-1-[(3-methylbut-2-enoyl)oxy]-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium-4-olateFormula:
C20H31O8NSmiles:
CC(C)=CC(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12Aglycone:
CC(C)=CC(=O)OC1CC[N+]2([O-])CC=C(C)C12Sugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.47 | Num_heavy_atoms: | 29 |
| TPSA: | 136.35 | 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 |
