Glycoside
GD038354
Name:
[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphateFormula:
C25H27O10N2PSSmiles:
O=C(NCc1ccc([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)cc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1Aglycone:
COP(=O)(O)O.O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.54 | Num_heavy_atoms: | 39 |
| TPSA: | 191.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23981
Formula: C20H18O3N2S
Smiles:
O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.44 | Num_heavy_atoms: | 26 |
| TPSA: | 75.27 | NumAromaticRings: | 3 |
