Glycoside
GD100618
Name:
NoneFormula:
C18H22O10N5PSmiles:
COc1ccc(OC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CO[PH](O)(O)O.COc1ccc(OC(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.37 | Num_heavy_atoms: | 34 |
| TPSA: | 210.77 | 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 |
AD42470
Formula: C13H10O3N5
Smiles:
COc1ccc(OC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.25 | Num_heavy_atoms: | 21 |
| TPSA: | 99.8 | NumAromaticRings: | 2 |
