Glycoside
GD100509
Name:
NoneFormula:
C20H27O7N6PSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(Nc4ccc(N5CCCC5)cc4)ncnc32)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2ccc(N3CCCC3)cc2)[N]1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.45 | Num_heavy_atoms: | 34 |
| TPSA: | 178.48 | 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 |
AD42446
Formula: C15H15N6
Smiles:
C1=Nc2c(ncnc2Nc2ccc(N3CCCC3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 279.33 | Num_heavy_atoms: | 21 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
