Glycoside
GD086422
Name:
N-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]propane-2-sulfonamideFormula:
C18H29O6N5SSmiles:
CC(C)S(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ncccn3)CC2)[C@H](O)[C@@H]1OAglycone:
CC(=O)N1CCN(c2ncccn2)CC1.CNS(=O)(=O)C(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.53 | Num_heavy_atoms: | 30 |
| TPSA: | 145.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD23587
Formula: C4H11O2NS
Smiles:
CNS(=O)(=O)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.2 | Num_heavy_atoms: | 8 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD38293
Formula: C10H14ON4
Smiles:
CC(=O)N1CCN(c2ncccn2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
