Glycoside
GD013629
Name:
NoneFormula:
C18H25O13N6P3Smiles:
COc1ccc(CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 626.35 | Num_heavy_atoms: | 40 |
| TPSA: | 280.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10136
Formula: C9H16O10NP3
Smiles:
COc1ccc(CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC)cc1| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 391.15 | Num_heavy_atoms: | 23 |
| TPSA: | 160.85 | NumAromaticRings: | 1 |
