Glycoside
GD020629
Name:
NoneFormula:
C18H19O7N5Smiles:
COc1cccc(-c2nc3c(=O)nc(N)[nH]c(=O)c3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(C2=Nc3c(c(=O)[nH]c(N)nc3=O)[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.38 | Num_heavy_atoms: | 30 |
| TPSA: | 185.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD14216
Formula: C13H10O3N5
Smiles:
COc1cccc(C2=Nc3c(c(=O)[nH]c(N)nc3=O)[N]2)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.25 | Num_heavy_atoms: | 21 |
| TPSA: | 124.53 | NumAromaticRings: | 2 |
