Glycoside
GD142539
Name:
N-benzyl-2-[3,4-dihydroxy-5-({[(4-methylphenyl)carbamoyl]amino}methyl)oxolan-2-yl]-N-methylacetamideFormula:
C23H29O5N3Smiles:
Cc1ccc(NC(O)=NCC2OC(CC(=O)N(C)Cc3ccccc3)C(O)C2O)cc1Aglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.5 | Num_heavy_atoms: | 31 |
| TPSA: | 114.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
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 |
