Glycoside
GD013048
Name:
NoneFormula:
C32H43O11N5Smiles:
[N-]=[N+]=NCCO[C@@H]1C[C@H](C(=O)NCc2ccc(CO)cc2)[C@H](C(=O)NCc2ccc(CO)cc2)C[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
[N-]=[N+]=NCCOC1CC(C(=O)NCc2ccc(CO)cc2)C(C(=O)NCc2ccc(CO)cc2)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 15 |
| MolWt: | 673.72 | Num_heavy_atoms: | 48 |
| TPSA: | 256.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD09787
Formula: C26H33O6N5
Smiles:
[N-]=[N+]=NCCOC1CC(C(=O)NCc2ccc(CO)cc2)C(C(=O)NCc2ccc(CO)cc2)CC1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 511.58 | Num_heavy_atoms: | 37 |
| TPSA: | 176.88 | NumAromaticRings: | 2 |
