Glycoside
GD129291
Name:
N-({3,4-dihydroxy-5-[2-(morpholin-4-yl)-2-oxoethyl]oxolan-2-yl}methyl)benzenesulfonamideFormula:
C17H24O7N2SSmiles:
O=C(CC1OC(CNS(=O)(=O)c2ccccc2)C(O)C1O)N1CCOCC1Aglycone:
CC(=O)N1CCOCC1.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.45 | Num_heavy_atoms: | 27 |
| TPSA: | 125.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD05137
Formula: C7H9O2NS
Smiles:
CNS(=O)(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 171.22 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
