Glycoside
GD088420
Name:
NoneFormula:
C20H33O8N3Smiles:
CCC1=N[C@]2(CC[C@@H](C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)C(=O)N1CCOCAglycone:
CCC1=NC2(CCC(C(N)=O)CC2)C(=O)N1CCOCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.5 | Num_heavy_atoms: | 31 |
| TPSA: | 161.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD38677
Formula: C14H23O3N3
Smiles:
CCC1=NC2(CCC(C(N)=O)CC2)C(=O)N1CCOC| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.36 | Num_heavy_atoms: | 20 |
| TPSA: | 84.99 | NumAromaticRings: | 0 |
