Glycoside
GD031880
Name:
NoneFormula:
C23H33O13N3Smiles:
CCC(=O)Nc1cc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(C(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -4.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 559.53 | Num_heavy_atoms: | 39 |
| TPSA: | 267.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD20503
Formula: C11H13O3N3
Smiles:
CCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 235.24 | Num_heavy_atoms: | 17 |
| TPSA: | 115.28 | NumAromaticRings: | 1 |
