Glycoside
GD022646
Name:
NoneFormula:
C26H38O13N2SSmiles:
CN(C)c1cccc2c(S(=O)(=O)NCCO[C@@H]3O[C@H]([C@H](O)CO[C@@H]4O[C@H]([C@H](O)CO)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12Sugarmoiety:
OCC(O)C1OC(OCC(O)C2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 618.66 | Num_heavy_atoms: | 42 |
| TPSA: | 227.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD07519
Formula: C14H18O3N2S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 294.38 | Num_heavy_atoms: | 20 |
| TPSA: | 69.64 | NumAromaticRings: | 2 |
