Glycoside
GD141452
Name:
1-[4-(propan-2-yl)phenyl]-5-({[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino}methylidene)-1,3-diazinane-2,4,6-trioneFormula:
C20H25O8N3Smiles:
CC(C)c1ccc(N2C(=O)N=C(O)C(=CNC3C(O)OC(CO)C(O)C3O)C2=O)cc1Aglycone:
CC(C)c1ccc(N2C(=O)N=C(O)C(=CN)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.43 | Num_heavy_atoms: | 31 |
| TPSA: | 172.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD56984
Formula: C14H15O3N3
Smiles:
CC(C)c1ccc(N2C(=O)N=C(O)C(=CN)C2=O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.29 | Num_heavy_atoms: | 20 |
| TPSA: | 95.99 | NumAromaticRings: | 1 |
