Glycoside
GD010933
Name:
NoneFormula:
C19H27O11NSmiles:
CC(=O)CCC(=O)N[C@@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)CCC(N)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 445.42 | Num_heavy_atoms: | 31 |
| TPSA: | 160.6 | 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 |
AD08388
Formula: C5H9O2N
Smiles:
CC(=O)CCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
