Glycoside
GD009587
Name:
NoneFormula:
C19H21O9N6PSmiles:
N#Cc1ccc(OCC[n+]2cn([C@@H]3O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1Aglycone:
COP(=O)([O-])O.N#Cc1ccc(OCC[N+]2=C[N]c3nc(N)[nH]c(=O)c32)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.38 | Num_heavy_atoms: | 35 |
| TPSA: | 232.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD07505
Formula: C14H12O2N6
Smiles:
N#Cc1ccc(OCC[N+]2=C[N]c3nc(N)[nH]c(=O)c32)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.29 | Num_heavy_atoms: | 22 |
| TPSA: | 121.9 | NumAromaticRings: | 2 |
