Glycoside
GD026640
Name:
NoneFormula:
C18H29O13N6P3S2Smiles:
N#CSCCCCCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N#CSCCCCCCCSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 17 |
| MolWt: | 694.52 | Num_heavy_atoms: | 42 |
| TPSA: | 302.92 | 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 |
AD17550
Formula: C13H17N6S2
Smiles:
N#CSCCCCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 321.45 | Num_heavy_atoms: | 21 |
| TPSA: | 102.05 | NumAromaticRings: | 1 |
