Glycoside
GD023527
Name:
NoneFormula:
C20H21O8N4F3SSmiles:
O=C(N1CCc2cc(S(=O)(=O)NC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)ccc2C1)C(F)(F)FAglycone:
CNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.47 | Num_heavy_atoms: | 36 |
| TPSA: | 171.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD10695
Formula: C12H13O3N2F3S
Smiles:
CNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.31 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
