Glycoside
GD032763
Name:
NoneFormula:
C13H19O5N2FSSmiles:
CCCCSC[C@@H]1OC(n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCSC.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.37 | Num_heavy_atoms: | 22 |
| TPSA: | 104.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD11478
Formula: C5H12S
Smiles:
CCCCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
