Glycoside
GD008376
Name:
NoneFormula:
C22H31O18N10P3Smiles:
C[n+]1cn([C@H]2O[C@@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4c[n+](C)c5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OC.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -6.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 816.46 | Num_heavy_atoms: | 53 |
| TPSA: | 415.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD06690
Formula: C2H7O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.99 | Num_heavy_atoms: | 15 |
| TPSA: | 154.48 | NumAromaticRings: | 0 |
