Glycoside
GD108111
Name:
NoneFormula:
C25H40O10N2SSmiles:
CCC[C@H]1C[C@H](C(=O)N[C@@]2([C@@H](C)OC(C)=O)O[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)N(C)C1Aglycone:
CCCC1CC(C(N)=O)N(C)C1.CCOC(C)=OSugarmoiety:
CSC1OC(O)(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 560.67 | Num_heavy_atoms: | 38 |
| TPSA: | 146.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD38151
Formula: C4H8O2
Smiles:
CCOC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD43944
Formula: C9H18ON2
Smiles:
CCCC1CC(C(N)=O)N(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.26 | Num_heavy_atoms: | 12 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
