Glycoside
GD100075
Name:
N-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)-4-methoxybenzamideFormula:
C25H31O6N3Smiles:
COc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.54 | Num_heavy_atoms: | 34 |
| TPSA: | 111.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
