Glycoside
GD026457
Name:
NoneFormula:
C18H24O10N10P2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](OP(=O)(O)COCCn2cnc3ncnc(N)c32)[C@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2ncn(CCOCP(=O)(O)O)c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.4 | Num_heavy_atoms: | 40 |
| TPSA: | 291.22 | NumAromaticRings: | 4 |
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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD14074
Formula: C8H12O4N5P
Smiles:
Nc1ncnc2ncn(CCOCP(=O)(O)O)c12| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.19 | Num_heavy_atoms: | 18 |
| TPSA: | 136.38 | NumAromaticRings: | 2 |
