Glycoside
GD015077
Name:
NoneFormula:
C17H17O6N2ClSmiles:
O=c1ccn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Cc1ccc(Cl)cc1Aglycone:
O=c1cc[nH]c(=O)n1Cc1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.77 | Num_heavy_atoms: | 25 |
| TPSA: | 113.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD11006
Formula: C12H9O2N2Cl
Smiles:
O=c1cc[nH]c(=O)n1Cc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.66 | Num_heavy_atoms: | 16 |
| TPSA: | 54.86 | NumAromaticRings: | 2 |
