Glycoside
GD100580
Name:
NoneFormula:
C19H24O7N5PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(N/C=C/Cc4ccccc4)ncnc32)[C@@H]1OAglycone:
C(=CNc1ncnc2c1N=C[N]2)Cc1ccccc1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.4 | Num_heavy_atoms: | 32 |
| TPSA: | 175.24 | NumAromaticRings: | 3 |
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 |
AD35955
Formula: C14H12N5
Smiles:
C(=CNc1ncnc2c1N=C[N]2)Cc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.28 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
