Glycoside
GD019569
Name:
NoneFormula:
C15H27O13N6P3SSmiles:
CCCCCCSc1nc(N)c2nnn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCCCSc1nc(N)c2c(n1)[N]N=N2.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 14 |
| MolWt: | 624.4 | Num_heavy_atoms: | 38 |
| TPSA: | 292.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 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 |
AD07986
Formula: C10H15N6S
Smiles:
CCCCCCSc1nc(N)c2c(n1)[N]N=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 251.34 | Num_heavy_atoms: | 17 |
| TPSA: | 90.62 | NumAromaticRings: | 1 |
