Glycoside
GD127292
Name:
2-[3,4-dihydroxy-5-({[(4-methylphenyl)carbamoyl]amino}methyl)oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamideFormula:
C23H29O6N3Smiles:
COc1ccc(CN=C(O)CC2OC(CN=C(O)Nc3ccc(C)cc3)C(O)C2O)cc1Aglycone:
CN=C(O)Nc1ccc(C)cc1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.5 | Num_heavy_atoms: | 32 |
| TPSA: | 136.13 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
