Glycoside
GD130160
Name:
Celephthalide AFormula:
C18H24O8Smiles:
CC(CCC1OC(=O)c2ccccc21)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CCC1OC(=O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.38 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | 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 |
