Glycoside
GD000945
Name:
NoneFormula:
C17H23O12N6P3Smiles:
Cc1ccc(NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(C)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.32 | Num_heavy_atoms: | 38 |
| TPSA: | 270.93 | 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 |
AD00985
Formula: C8H14O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(C)cc1| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.12 | Num_heavy_atoms: | 21 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
