Glycoside
GD009397
Name:
NoneFormula:
C23H32O13Smiles:
O=C(CCC(=O)OCC1OC(O)(CC2OC(CO)C(O)C(O)C2O)C(O)C1O)OCc1ccccc1Aglycone:
COC(=O)CCC(=O)OCc1ccccc1Sugarmoiety:
OCC1OC(CC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD07368
Formula: C12H14O4
Smiles:
COC(=O)CCC(=O)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
