Glycoside
GD040499
Name:
(2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamideFormula:
C19H22O4N2SSmiles:
O=C(NCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1ccccc1Aglycone:
NCc1cccs1.c1ccc(C2CCCN2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.46 | Num_heavy_atoms: | 26 |
| TPSA: | 89.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD01164
Formula: C10H13N
Smiles:
c1ccc(C2CCCN2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.22 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD13595
Formula: C5H7NS
Smiles:
NCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.18 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
