Glycoside
GD009626
Name:
NoneFormula:
C20H23O7N5Smiles:
COc1ccc(CC(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1OCAglycone:
COC(=O)Cc1ccc(OC)c(OC)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.43 | Num_heavy_atoms: | 32 |
| TPSA: | 164.07 | 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 |
AD07533
Formula: C11H14O4
Smiles:
COC(=O)Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
