Glycoside
GD118250
Name:
NoneFormula:
C15H28O20N5P4Smiles:
[NH3+]C1c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2N=CN1C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.[NH3+]C1NC=NC2=C1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.73 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 722.3 | Num_heavy_atoms: | 44 |
| TPSA: | 387.02 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD47263
Formula: C5H7N5
Smiles:
[NH3+]C1NC=NC2=C1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 78.49 | NumAromaticRings: | 0 |
