Glycoside
GD089501
Name:
NoneFormula:
C19H32O11NSmiles:
CCOC[C@H](O)C[NH2+][C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CCOCC(O)C[NH3+].COC(C)=OSugarmoiety:
CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 450.46 | Num_heavy_atoms: | 31 |
| TPSA: | 160.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD39049
Formula: C5H14O2N
Smiles:
CCOCC(O)C[NH3+]| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 120.17 | Num_heavy_atoms: | 8 |
| TPSA: | 57.1 | NumAromaticRings: | 0 |
