Glycoside
GD032529
Name:
NoneFormula:
C27H25O8N4PSmiles:
COc1ccc2cc(-c3cccc(-c4ncnc5c4ncn5[C@@H]4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)c3)ccc2c1Aglycone:
COP(=O)(O)O.COc1ccc2cc(-c3cccc(-c4ncnc5c4N=C[N]5)c3)ccc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.49 | Num_heavy_atoms: | 40 |
| TPSA: | 169.28 | NumAromaticRings: | 5 |
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 |
AD20858
Formula: C22H15ON4
Smiles:
COc1ccc2cc(-c3cccc(-c4ncnc5c4N=C[N]5)c3)ccc2c1| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.39 | Num_heavy_atoms: | 27 |
| TPSA: | 61.47 | NumAromaticRings: | 4 |
