Glycoside
GD100125
Name:
4-chloro-N-[(3,4-dihydroxy-5-{2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]benzene-1-sulfonamideFormula:
C20H27O7N2ClSSmiles:
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(Cl)cc1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.95 | Num_heavy_atoms: | 30 |
| TPSA: | 125.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD18767
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
