Glycoside
GD010004
Name:
NoneFormula:
C56H32O10N4F18S2Smiles:
OC[C@@H]1O[C@H](Sc2c(F)c(F)c(C3=C4C=CC(=N4)C(c4c(F)c(F)c(F)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(F)c(F)c5F)=C5C=CC3=N5)C=C4)c(F)c2F)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(S)c(F)c3F)=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)C3=NC(=C(c4c(F)c(F)c(S)c(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 11 |
| HBD: | 9 | FractionCSP3: | 0.23 |
| AlogP: | 8.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 1326.99 | Num_heavy_atoms: | 90 |
| TPSA: | 233.17 | NumAromaticRings: | 5 |
Unique Aglycone
AD07782
Formula: C44H12N4F18S2
Smiles:
Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(S)c(F)c3F)=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)C3=NC(=C(c4c(F)c(F)c(S)c(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F| HBA: | 4 | RingCount: | 9 |
| HBD: | 1 | FractionCSP3: | 0.02 |
| AlogP: | 12.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 1002.71 | Num_heavy_atoms: | 68 |
| TPSA: | 52.87 | NumAromaticRings: | 5 |
