Glycoside
GD022824
Name:
NoneFormula:
C21H22O6N6Smiles:
Cc1ccc(OC[C@@H]2O[C@H](n3c4ncnc(N)c4c4c(=O)[nH]c(=O)[nH]c43)[C@@](C)(O)[C@H]2O)cc1Aglycone:
COc1ccc(C)cc1.Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=O)[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.44 | Num_heavy_atoms: | 33 |
| TPSA: | 181.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD01833
Formula: C8H5O2N6
Smiles:
Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=O)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 217.17 | Num_heavy_atoms: | 16 |
| TPSA: | 131.62 | NumAromaticRings: | 2 |
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
