Glycoside
GD019988
Name:
NoneFormula:
C16H12O5NCl2BrSmiles:
O=Cc1c(Br)n(C2O[C@H](CO)[C@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12Aglycone:
O=Cc1c(Br)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.06 | Num_heavy_atoms: | 23 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD13873
Formula: C11H4ONCl2Br
Smiles:
O=Cc1c(Br)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.95 | Num_heavy_atoms: | 14 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
