Glycoside
GD134341
Name:
6-[(1,3-dihydroxybutan-2-yl)oxy]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C16H28O14Smiles:
CC(O)C(CO)OC1OC(C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(O)C(O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -5.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.39 | Num_heavy_atoms: | 30 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD54355
Formula: C4H10O3
Smiles:
CC(O)C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
