Glycoside
GD012232
Name:
NoneFormula:
C19H17O6N5Cl2Smiles:
Nc1nc(O)c2c(n1)n(C1OC(CO)[C@H](O)[C@H]1O)c(=O)n2Cc1ccc(Cl)c(Cl)c1Aglycone:
Nc1nc(O)c2c(n1)[nH]c(=O)n2Cc1ccc(Cl)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.26 | Num_heavy_atoms: | 30 |
| TPSA: | 168.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD09238
Formula: C14H9O2N5Cl2
Smiles:
Nc1nc(O)c2c(n1)[nH]c(=O)n2Cc1ccc(Cl)c(Cl)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.14 | Num_heavy_atoms: | 21 |
| TPSA: | 109.82 | NumAromaticRings: | 3 |
