Glycoside
GD150329
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoateFormula:
C21H30O13Smiles:
CC(C(=O)OC1OC(CO)C(O)C(O)C1O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C(=O)O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD46812
Formula: C9H10O3
Smiles:
CC(C(=O)O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
