Glycoside
GD116868
Name:
2-{3,4-dihydroxy-5-[(4-methylbenzenesulfonamido)methyl]oxolan-2-yl}-N-[2-(morpholin-4-yl)ethyl]acetamideFormula:
C20H31O7N3SSmiles:
Cc1ccc(S(=O)(=O)NCC2OC(CC(O)=NCCN3CCOCC3)C(O)C2O)cc1Aglycone:
CC(O)=NCCN1CCOCC1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.55 | Num_heavy_atoms: | 31 |
| TPSA: | 140.92 | 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 |
AD45716
Formula: C8H16O2N2
Smiles:
CC(O)=NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
