Glycoside
GD153036
Name:
Halawanone DFormula:
C22H22O7Smiles:
CCc1cc(OC2CC(O)C(O)C(C)O2)cc2c1C(=O)c1c(O)cccc1C2=OAglycone:
CCc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.41 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD60891
Formula: C16H12O4
Smiles:
CCc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
