Glycoside
GD092120
Name:
NoneFormula:
C19H33O9N2Smiles:
C[NH2+]CC[C@@H](C)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.C[NH2+]CCC(C)NSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 433.48 | Num_heavy_atoms: | 30 |
| TPSA: | 143.07 | 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 |
AD40217
Formula: C5H15N2
Smiles:
C[NH2+]CCC(C)N| HBA: | 2 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 103.19 | Num_heavy_atoms: | 7 |
| TPSA: | 42.63 | NumAromaticRings: | 0 |
