Glycoside
GD002792
Name:
NoneFormula:
C21H18O6NCl3Smiles:
CCCC(=O)OC[C@@H]1OC(n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
CCCC(=O)OC.O=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.7 | Num_heavy_atoms: | 28 |
| TPSA: | 97.99 | 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 |
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
