Glycoside
GD000988
Name:
NoneFormula:
C16H24O7N5PSSmiles:
C=CCCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
C=CCCCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 461.44 | Num_heavy_atoms: | 30 |
| TPSA: | 186.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 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 |
AD00643
Formula: C11H14N5S
Smiles:
C=CCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 248.34 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
