Glycoside
GD117665
Name:
2-[3,4-dihydroxy-5-({[(4-methylphenyl)carbamoyl]amino}methyl)oxolan-2-yl]-N-(propan-2-yl)acetamideFormula:
C18H27O5N3Smiles:
Cc1ccc(NC(O)=NCC2OC(CC(O)=NC(C)C)C(O)C2O)cc1Aglycone:
CC(O)=NC(C)C.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.43 | Num_heavy_atoms: | 26 |
| TPSA: | 126.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD46565
Formula: C9H12ON2
Smiles:
CN=C(O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
