Glycoside
GD003409
Name:
NoneFormula:
C19H24O4N5SSmiles:
C[S+](CCc1ccccc1)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CO[S+](C)CCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.5 | Num_heavy_atoms: | 29 |
| TPSA: | 128.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03104
Formula: C10H15OS
Smiles:
CO[S+](C)CCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.3 | Num_heavy_atoms: | 12 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
