Glycoside
GD019710
Name:
NoneFormula:
C19H27O7N2BrSmiles:
CCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=OAglycone:
CCCCCCCC(=O)O.O=c1[nH]cc(C=CBr)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 475.34 | Num_heavy_atoms: | 29 |
| TPSA: | 130.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00265
Formula: C6H5O2N2Br
Smiles:
O=c1[nH]cc(C=CBr)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.02 | Num_heavy_atoms: | 11 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD04095
Formula: C8H16O2
Smiles:
CCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
