Glycoside
GD036365
Name:
NoneFormula:
C21H27O10N5P2Smiles:
Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2CCCC2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1CCCC1.Nc1ncnc2c1N=C(c1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 571.42 | Num_heavy_atoms: | 38 |
| TPSA: | 221.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD05547
Formula: C11H8N5
Smiles:
Nc1ncnc2c1N=C(c1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.22 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
AD20591
Formula: C6H14O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1CCCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 260.12 | Num_heavy_atoms: | 15 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
