Glycoside
GD135736
Name:
2-(3,4-dihydroxy-5-{[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}oxolan-2-yl)-N-(propan-2-yl)acetamideFormula:
C19H26O5N4Smiles:
CC(C)N=C(O)CC1OC(Cn2cc(COc3ccccc3)nn2)C(O)C1OAglycone:
CC(O)=NC(C)C.Cn1cc(COc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.44 | Num_heavy_atoms: | 28 |
| TPSA: | 122.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD06148
Formula: C10H11ON3
Smiles:
Cn1cc(COc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.94 | NumAromaticRings: | 2 |
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 |
