Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.5 |
AlogP: | -1.84 | Num_rotatable_bonds: | 6 |
MolWt: | 445.26 | Num_heavy_atoms: | 27 |
TPSA: | 218.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
MolWt: | 112.02 | Num_heavy_atoms: | 6 |
TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24583
Formula: C5H5O3N4PS
Smiles:
O=P(O)(O)Sc1[nH+]cnc2c1N=C[N]2HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.01 | Num_rotatable_bonds: | 2 |
MolWt: | 232.16 | Num_heavy_atoms: | 14 |
TPSA: | 111.02 | NumAromaticRings: | 1 |