Glycoside
GD004135
Name:
NoneFormula:
C18H20O7N3Smiles:
C[n+]1cccc(C#Cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)c1Aglycone:
C[n+]1cccc(C#Cc2c[nH]c(=O)[nH]c2=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.37 | Num_heavy_atoms: | 28 |
| TPSA: | 148.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD03656
Formula: C12H10O2N3
Smiles:
C[n+]1cccc(C#Cc2c[nH]c(=O)[nH]c2=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.23 | Num_heavy_atoms: | 17 |
| TPSA: | 69.6 | NumAromaticRings: | 2 |
