Glycoside
GD026016
Name:
(1-hydroxy-4-oxo-2,3,5,7a-tetrahydro-1H-4λâµ-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoateFormula:
C16H27O7NSmiles:
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)C(C)(C)OAglycone:
CC1=CC[N+]2([O-])CCC(O)C12Sugarmoiety:
COC(C)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 345.39 | Num_heavy_atoms: | 24 |
| TPSA: | 119.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD17186
Formula: C8H13O2N
Smiles:
CC1=CC[N+]2([O-])CCC(O)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 155.2 | Num_heavy_atoms: | 11 |
| TPSA: | 43.29 | NumAromaticRings: | 0 |
