Glycoside
GD019082
Name:
NoneFormula:
C31H37O9NF2SSmiles:
COC1OC(CS(=O)(=O)Oc2ccc(C[C@H](CCC(O)c3ccc(F)cc3)CNc3ccc(F)cc3)cc2)C(O)C(O)C1OAglycone:
CS(=O)(=O)Oc1ccc(CC(CCC(O)c2ccc(F)cc2)CNc2ccc(F)cc2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 637.7 | Num_heavy_atoms: | 44 |
| TPSA: | 154.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD13367
Formula: C25H27O4NF2S
Smiles:
CS(=O)(=O)Oc1ccc(CC(CCC(O)c2ccc(F)cc2)CNc2ccc(F)cc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 475.56 | Num_heavy_atoms: | 33 |
| TPSA: | 75.63 | NumAromaticRings: | 3 |
