Glycoside
GD119050
Name:
CasimiroedineFormula:
C21H27O6N3Smiles:
CN(CCc1cn(C2OC(CO)C(O)C(O)C2O)cn1)C(=O)C=Cc1ccccc1Aglycone:
CN(CCC1=C[N]C=N1)C(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.46 | Num_heavy_atoms: | 30 |
| TPSA: | 128.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD47652
Formula: C15H16ON3
Smiles:
CN(CCC1=C[N]C=N1)C(=O)C=Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.31 | Num_heavy_atoms: | 19 |
| TPSA: | 46.77 | NumAromaticRings: | 1 |
