Glycoside
GD132048
Name:
6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C16H20O10Smiles:
COc1cc(CCC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
COc1cc(CCC(=O)O)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.33 | Num_heavy_atoms: | 26 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD51290
Formula: C10H12O4
Smiles:
COc1cc(CCC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
