Glycoside
GD135077
Name:
{1-[(3-hydroxy-3-methylbutanoyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl}methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoateFormula:
C20H33O8NSmiles:
CC(O)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)CC(C)(C)O)C12)C(C)(C)OAglycone:
CC1=CCN2CCC(OC(=O)CC(C)(C)O)C12Sugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD54630
Formula: C13H21O3N
Smiles:
CC1=CCN2CCC(OC(=O)CC(C)(C)O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.31 | Num_heavy_atoms: | 17 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
