Glycoside
GD009411
Name:
NoneFormula:
C13H20O3N5SSmiles:
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](C[S+](C)C)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
C[S+](C)CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.4 | Num_heavy_atoms: | 22 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
