Glycoside
GD032059
Name:
NoneFormula:
C18H18O7N2Smiles:
O=c1nc(O)c(C#Cc2ccccc2)cn1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1nc(O)c(C#Cc2ccccc2)c[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 145.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD20590
Formula: C12H8O2N2
Smiles:
O=c1nc(O)c(C#Cc2ccccc2)c[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.98 | NumAromaticRings: | 2 |
