Glycoside
GD034261
Name:
NoneFormula:
C20H18O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2coc3ccccc3c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)c1coc2ccccc2c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.4 | Num_heavy_atoms: | 32 |
| TPSA: | 178.62 | 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 |
AD21798
Formula: C11H9O3N
Smiles:
CNC(=O)c1coc2ccccc2c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.2 | Num_heavy_atoms: | 15 |
| TPSA: | 59.31 | NumAromaticRings: | 2 |
