Glycoside
GD144887
Name:
methyl 4-(5-{[3,4-dihydroxy-5-({[(propan-2-yl)carbamoyl]amino}methyl)oxolan-2-yl]methyl}-1,2,4-oxadiazol-3-yl)benzoateFormula:
C20H26O7N4Smiles:
COC(=O)c1ccc(-c2noc(CC3OC(CN=C(O)NC(C)C)C(O)C3O)n2)cc1Aglycone:
CN=C(O)NC(C)C.COC(=O)c1ccc(-c2noc(C)n2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD38940
Formula: C11H10O3N2
Smiles:
COC(=O)c1ccc(-c2noc(C)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.22 | NumAromaticRings: | 2 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
