Glycoside
GD040013
Name:
methylene adp-beta-xyloseFormula:
C16H25O13N5P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)C[P@](=O)(O)OCC2O[C@H](O)[C@H](O)C2O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)CP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 557.35 | Num_heavy_atoms: | 36 |
| TPSA: | 282.29 | 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 |
AD00695
Formula: C3H10O6P2
Smiles:
COP(=O)(O)CP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.05 | Num_heavy_atoms: | 11 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
