Glycoside
GD100181
Name:
NoneFormula:
C19H22O7N6PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(Nc4cc[nH+]c5ccccc45)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cc[nH+]c3ccccc23)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.39 | Num_heavy_atoms: | 33 |
| TPSA: | 189.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD35538
Formula: C14H10N6
Smiles:
C1=Nc2c(ncnc2Nc2cc[nH+]c3ccccc23)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.28 | Num_heavy_atoms: | 20 |
| TPSA: | 78.41 | NumAromaticRings: | 3 |
