Glycoside
GD037201
Name:
NoneFormula:
C32H44O10N6Smiles:
[N-]=[N+]=NCCO[C@@H]1C[C@H](C(=O)OCc2ccc(CN)cc2)[C@H](C(=O)OCc2ccc(CN)cc2)C[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1OAglycone:
[N-]=[N+]=NCCOC1CC(C(=O)OCc2ccc(CN)cc2)C(C(=O)OCc2ccc(CN)cc2)CC1OSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 672.74 | Num_heavy_atoms: | 48 |
| TPSA: | 267.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD23447
Formula: C26H33O6N5
Smiles:
[N-]=[N+]=NCCOC1CC(C(=O)OCc2ccc(CN)cc2)C(C(=O)OCc2ccc(CN)cc2)CC1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 511.58 | Num_heavy_atoms: | 37 |
| TPSA: | 182.86 | NumAromaticRings: | 2 |
