Glycoside
GD031816
Name:
NoneFormula:
C11H16O13N5P3Smiles:
Nc1ncnc2c1ncn2C1O[C@H](COP2(=O)OCOP(=O)(OP(=O)(O)O)O2)[C@H](O)[C@H]1OAglycone:
COP1(=O)OCOP(=O)(OP(=O)(O)O)O1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.19 | Num_heavy_atoms: | 32 |
| TPSA: | 257.13 | NumAromaticRings: | 2 |
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 |
AD20472
Formula: C2H7O10P3
Smiles:
COP1(=O)OCOP(=O)(OP(=O)(O)O)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 283.99 | Num_heavy_atoms: | 15 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
