Glycoside
GD003775
Name:
NoneFormula:
C12H20O12N5P3SSmiles:
C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)([O-])CP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)nc(O)c21Aglycone:
COP(=O)(S)OP(=O)([O-])CP(=O)(O)O.C[N+]1=C[N]c2nc(N)nc(O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 551.3 | Num_heavy_atoms: | 33 |
| TPSA: | 263.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD02044
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc(O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 89.14 | NumAromaticRings: | 1 |
AD03383
Formula: C2H8O8P3S
Smiles:
COP(=O)(S)OP(=O)([O-])CP(=O)(O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 285.07 | Num_heavy_atoms: | 14 |
| TPSA: | 133.19 | NumAromaticRings: | 0 |
