Glycoside
GD018444
Name:
NoneFormula:
C19H23O4N5Smiles:
CC(C)(OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(C)(C)c1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| 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 |
AD13011
Formula: C10H14O
Smiles:
COC(C)(C)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
