Glycoside
GD147850
Name:
6-({2-[(1,3-dihydroxypropan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C21H36O19Smiles:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC(CO)CO)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
OCC(O)COSugarmoiety:
O=O.OCC(CO)OC1OC(CO)C(O)C(OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | -8.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 592.5 | Num_heavy_atoms: | 40 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
