Glycoside
GD115234
Name:
Celephthalide BFormula:
C23H32O12Smiles:
CC(CCC1OC(=O)c2ccccc21)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC(O)CCC1OC(=O)c2ccccc21Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.5 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD45544
Formula: C12H14O3
Smiles:
CC(O)CCC1OC(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
