Glycoside
GD028339
Name:
NoneFormula:
C14H17O4N7Smiles:
C[C@]1(O)[C@H](CO)O[C@H](n2cnc3c(Nc4cc[nH]n4)ncnc32)[C@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cc[nH]n2)[N]1Sugarmoiety:
CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.34 | Num_heavy_atoms: | 25 |
| TPSA: | 154.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD18532
Formula: C8H6N7
Smiles:
C1=Nc2c(ncnc2Nc2cc[nH]n2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.19 | Num_heavy_atoms: | 15 |
| TPSA: | 92.95 | NumAromaticRings: | 2 |
