Glycoside
GD124954
Name:
Xestospongiene ZFormula:
C18H24O5Br2Smiles:
COC(=O)CCCC#CC1OC(CCC=C(Br)C=CBr)C(OC)C1OAglycone:
C#CCCCC(=O)OC.CCC=C(Br)C=CBrSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.19 | Num_heavy_atoms: | 25 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50523
Formula: C7H10O2
Smiles:
C#CCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 126.15 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50524
Formula: C6H8Br2
Smiles:
CCC=C(Br)C=CBr| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.94 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
