Glycoside
GD019309
Name:
NoneFormula:
C17H18O9N5PSmiles:
O=C(NOP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1O)c1ccccc1OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)ONC(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.33 | Num_heavy_atoms: | 32 |
| TPSA: | 198.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD13496
Formula: C8H10O6NP
Smiles:
COP(=O)(O)ONC(=O)c1ccccc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.14 | Num_heavy_atoms: | 16 |
| TPSA: | 105.09 | NumAromaticRings: | 1 |
