Glycoside
GD014087
Name:
NoneFormula:
C19H14O7NCl3Smiles:
COC(=O)OC[C@@H]1OC(n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COC(=O)OC.O=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.65 | Num_heavy_atoms: | 27 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD00917
Formula: C12H4ONCl3
Smiles:
O=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.5 | Num_heavy_atoms: | 14 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
AD10420
Formula: C3H6O3
Smiles:
COC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
