Glycoside
GD070778
Name:
NoneFormula:
C18H21O4N5Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Nc3ccc(C)cc3)ncnc21Aglycone:
Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.4 | Num_heavy_atoms: | 27 |
| TPSA: | 114.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD03304
Formula: C12H10N5
Smiles:
Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
