Glycoside
GD046412
Name:
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)propanoateFormula:
C14H18O5Smiles:
COC(=O)CC[C@H]1O[C@@H](c2ccccc2)[C@@H](O)[C@@H]1OAglycone:
CCC(=O)OC.c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.29 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD02938
Formula: C6H6
Smiles:
c1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 78.11 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
