Glycoside
GD001873
Name:
NoneFormula:
C20H18O7N6Smiles:
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccccc1.Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=O)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.4 | Num_heavy_atoms: | 33 |
| TPSA: | 198.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
