Glycoside
GD111784
Name:
NoneFormula:
C28H29O9N5PClSmiles:
CC(=O)CCC(=O)O[C@@H]1C[C@@H](n2cnc3c2NC=N[C@@H]3NC(=O)c2ccccc2)O[C@@H]1O[PH](O)(O)Oc1ccc(Cl)cc1Aglycone:
CC(=O)CCC(=O)O.O=C(NC1N=CNC2=C1N=C[N]2)c1ccccc1.O[PH](O)(O)Oc1ccc(Cl)cc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.98 | Num_heavy_atoms: | 43 |
| TPSA: | 182.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD03365
Formula: C5H8O3
Smiles:
CC(=O)CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD44678
Formula: C7H8O4PCl
Smiles:
O[PH](O)(O)Oc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.55 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
AD44725
Formula: C12H10ON5
Smiles:
O=C(NC1N=CNC2=C1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 79.95 | NumAromaticRings: | 1 |
