Glycoside

GD004796
Name:
NoneFormula:
C12H15O13NFP3SSmiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](c2nc3cc(F)ccc3s2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Fc1ccc2scnc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.42 |
AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
MolWt: | 525.23 | Num_heavy_atoms: | 31 |
TPSA: | 222.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OHBA: | 10 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
MolWt: | 271.98 | Num_heavy_atoms: | 14 |
TPSA: | 159.82 | NumAromaticRings: | 0 |
AD04146
Formula: C7H4NFS
Smiles:
Fc1ccc2scnc2c1HBA: | 1 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.0 |
AlogP: | 2.44 | Num_rotatable_bonds: | 0 |
MolWt: | 153.18 | Num_heavy_atoms: | 10 |
TPSA: | 12.89 | NumAromaticRings: | 2 |