Glycoside
GD020868
Name:
NoneFormula:
C18H14O6NCl2BrSmiles:
CC(=O)OC[C@@H]1OC(n2c(Br)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COC(C)=O.O=Cc1c(Br)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.1 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
