Glycoside
GD004406
Name:
NoneFormula:
C23H29O3N6SSmiles:
C[S+](CCCCc1c[nH]c2ccccc12)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCCCc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 469.59 | Num_heavy_atoms: | 33 |
| TPSA: | 135.1 | NumAromaticRings: | 4 |
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 |
AD03853
Formula: C14H20NS
Smiles:
C[S+](C)CCCCc1c[nH]c2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 234.39 | Num_heavy_atoms: | 16 |
| TPSA: | 15.79 | NumAromaticRings: | 2 |
