Glycoside
GD083103
Name:
N-({3,4-dihydroxy-5-[2-(morpholin-4-yl)-2-oxoethyl]oxolan-2-yl}methyl)-4-methylbenzene-1-sulfonamideFormula:
C18H26O7N2SSmiles:
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)N3CCOCC3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)N1CCOCC1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.48 | Num_heavy_atoms: | 28 |
| TPSA: | 125.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| 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 |
