Glycoside
GD024685
Name:
NoneFormula:
C14H18O8N3PSmiles:
COc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
COP(=O)(O)O.COc1ccc(C2=C[N]N=N2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.29 | Num_heavy_atoms: | 26 |
| TPSA: | 156.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD03669
Formula: C9H8ON3
Smiles:
COc1ccc(C2=C[N]N=N2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.18 | Num_heavy_atoms: | 13 |
| TPSA: | 48.05 | NumAromaticRings: | 1 |
