Glycoside
GD092105
Name:
NoneFormula:
C19H31O9N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2C[NH2+][C@@H](C)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC1CC(N)C[NH2+]1.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.46 | 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 |
AD40211
Formula: C5H13N2
Smiles:
CC1CC(N)C[NH2+]1| HBA: | 2 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 101.17 | Num_heavy_atoms: | 7 |
| TPSA: | 42.63 | NumAromaticRings: | 0 |
