Glycoside
GD090854
Name:
NoneFormula:
C23H26O7N2Smiles:
C[C@H](C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(N2Cc3ccccc3C2=O)cc1Aglycone:
CC(C(N)=O)c1ccc(N2Cc3ccccc3C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.47 | Num_heavy_atoms: | 32 |
| TPSA: | 139.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD39553
Formula: C17H16O2N2
Smiles:
CC(C(N)=O)c1ccc(N2Cc3ccccc3C2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.33 | Num_heavy_atoms: | 21 |
| TPSA: | 63.4 | NumAromaticRings: | 2 |
