Glycoside
GD038971
Name:
n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamideFormula:
C20H39O9N5SSmiles:
CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](NS(C)(=O)=O)C[C@@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
CS(=O)(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -4.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 525.63 | Num_heavy_atoms: | 35 |
| TPSA: | 233.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD24212
Formula: C13H26O6N4S
Smiles:
CS(=O)(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.44 | Num_heavy_atoms: | 24 |
| TPSA: | 183.15 | NumAromaticRings: | 0 |
