Glycoside
GD005399
Name:
(2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamideFormula:
C21H24O4N3ClSSmiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCN(c2ccccc2Cl)CC1Aglycone:
Clc1ccccc1N1CCNCC1.NCCc1cccs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.95 | Num_heavy_atoms: | 29 |
| TPSA: | 93.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD02148
Formula: C6H9NS
Smiles:
NCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.21 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
AD04591
Formula: C11H13N2Cl
Smiles:
Clc1ccccc1N1CCNCC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.68 | Num_heavy_atoms: | 13 |
| TPSA: | 15.27 | NumAromaticRings: | 1 |
