Glycoside
GD100500
Name:
NoneFormula:
C16H22O7N5PSSmiles:
Cc1cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)c(C)s1Aglycone:
CO[PH](O)(O)O.Cc1cc(Nc2ncnc3c2N=C[N]3)c(C)s1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.42 | Num_heavy_atoms: | 30 |
| 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 |
AD35800
Formula: C11H10N5S
Smiles:
Cc1cc(Nc2ncnc3c2N=C[N]3)c(C)s1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.3 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
