Glycoside
GD100460
Name:
NoneFormula:
C18H22O8N5PSmiles:
CC(=O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.38 | Num_heavy_atoms: | 32 |
| TPSA: | 192.31 | 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 |
AD35710
Formula: C13H10ON5
Smiles:
CC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
