Glycoside
GD099995
Name:
N-[(3,4-dihydroxy-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]-4-methylbenzamideFormula:
C26H33O6N3Smiles:
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3ccc(C)cc3)[C@@H](O)[C@H]2O)CC1Aglycone:
CNC(=O)c1ccc(C)cc1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.57 | Num_heavy_atoms: | 35 |
| TPSA: | 111.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
