Glycoside
GD100179
Name:
NoneFormula:
C20H27O8N2ClSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2c(Cl)ccc3nc(C(C)(C)C)oc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)NCCO)c2o1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.95 | Num_heavy_atoms: | 31 |
| TPSA: | 151.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD42336
Formula: C14H17O4N2ClS
Smiles:
CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)NCCO)c2o1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.81 | Num_heavy_atoms: | 21 |
| TPSA: | 92.43 | NumAromaticRings: | 2 |
