Glycoside
GD000246
Name:
NoneFormula:
C16H28O12N5P3S2Smiles:
CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCCCSc1nc(N)c2c(n1)[N]C=N2.COP(O)(=S)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 639.48 | Num_heavy_atoms: | 38 |
| TPSA: | 262.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00286
Formula: C11H16N5S
Smiles:
CCCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 250.35 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00287
Formula: CH7O9P3S
Smiles:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
