Glycoside
GD030626
Name:
NoneFormula:
C18H14O5NCl3Smiles:
O=CCc1c(Cl)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
O=CCc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.64 | Num_heavy_atoms: | 24 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD19814
Formula: C13H6ONCl3
Smiles:
O=CCc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.52 | Num_heavy_atoms: | 15 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
