Glycoside
GD145422
Name:
N-{2-[4-(4-acetylpiperazin-1-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}ethanimidic acidFormula:
C20H29O7N3Smiles:
CC(=O)N1CCN(c2ccc(OC3OC(CO)C(O)C(O)C3N=C(C)O)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(O)cc2)CC1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.47 | Num_heavy_atoms: | 30 |
| TPSA: | 135.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD37080
Formula: C12H16O2N2
Smiles:
CC(=O)N1CCN(c2ccc(O)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.27 | Num_heavy_atoms: | 16 |
| TPSA: | 43.78 | NumAromaticRings: | 1 |
