Glycoside
GD034566
Name:
NoneFormula:
C31H33O10NF2SSmiles:
COC1OC(CS(=O)(=O)Oc2ccc([C@@H]3[C@H](CCC(O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)C(O)C(O)C1OAglycone:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 649.67 | Num_heavy_atoms: | 45 |
| TPSA: | 163.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD09551
Formula: C25H23O5NF2S
Smiles:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.52 | Num_heavy_atoms: | 34 |
| TPSA: | 83.91 | NumAromaticRings: | 3 |
