Glycoside
GD034251
Name:
NoneFormula:
C18H24O13N7P3Smiles:
CNc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
CNc1ccccc1C(=O)O.COP(=O)(O)OP(=O)(O)NP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 639.35 | Num_heavy_atoms: | 41 |
| TPSA: | 300.03 | 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 |
AD00255
Formula: C8H9O2N
Smiles:
CNc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
