Glycoside
GD003221
Name:
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoateFormula:
C14H18O6Smiles:
COC(=O)C[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@H](O)[C@H]1OAglycone:
COC(=O)CCO.c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD02937
Formula: C4H8O3
Smiles:
COC(=O)CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.11 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
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 |
