Glycoside
GD019535
Name:
NoneFormula:
C14H22O13N4P3SSmiles:
CCCCSc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CCCCSc1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 579.33 | Num_heavy_atoms: | 35 |
| TPSA: | 255.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD02483
Formula: C9H11N4S
Smiles:
CCCCSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.28 | Num_heavy_atoms: | 14 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD09054
Formula: CH6O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.97 | Num_heavy_atoms: | 14 |
| TPSA: | 162.65 | NumAromaticRings: | 0 |
