Glycoside
GD005714
Name:
NoneFormula:
C20H26O5N5SSmiles:
COc1ccccc1CC[S+](C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1ccccc1CC[S+](C)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.53 | Num_heavy_atoms: | 31 |
| TPSA: | 137.77 | 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 |
AD04814
Formula: C11H17O2S
Smiles:
COc1ccccc1CC[S+](C)OC| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 213.32 | Num_heavy_atoms: | 14 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
