Glycoside
GD099046
Name:
NoneFormula:
C21H37O10N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C)(C)[NH2+]CC(O)CN.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 477.53 | Num_heavy_atoms: | 33 |
| TPSA: | 163.3 | 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 |
AD42163
Formula: C7H19ON2
Smiles:
CC(C)(C)[NH2+]CC(O)CN| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.24 | Num_heavy_atoms: | 10 |
| TPSA: | 62.86 | NumAromaticRings: | 0 |
