Glycoside
GD148341
Name:
Halawanone CFormula:
C21H20O7Smiles:
Cc1cc(OC2CC(O)C(O)C(C)O2)cc2c1C(=O)c1c(O)cccc1C2=OAglycone:
Cc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD59364
Formula: C15H10O4
Smiles:
Cc1cc(O)cc2c1C(=O)c1c(O)cccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
