Glycoside
GD029017
Name:
NoneFormula:
C22H33O11NSmiles:
CCCCCC(=O)CC(=O)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:
CCCCCC(=O)CC(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: | 0.73 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 487.5 | Num_heavy_atoms: | 34 |
| 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 |
AD18911
Formula: C8H15O2N
Smiles:
CCCCCC(=O)CC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
