Glycoside
GD099717
Name:
NoneFormula:
C21H24O6N6Smiles:
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(NNc2ccccc2)c1NNc1ccccc1Aglycone:
O=c1[nH]c(NNc2ccccc2)c(NNc2ccccc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.46 | Num_heavy_atoms: | 33 |
| TPSA: | 172.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD42309
Formula: C16H16O2N6
Smiles:
O=c1[nH]c(NNc2ccccc2)c(NNc2ccccc2)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.34 | Num_heavy_atoms: | 24 |
| TPSA: | 113.84 | NumAromaticRings: | 3 |
