Glycoside
GD141491
Name:
2-[(3-hydroxy-1-phenylbutan-2-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C22H34O12Smiles:
CC(O)C(Cc1ccccc1)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)C(O)Cc1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.5 | Num_heavy_atoms: | 34 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD53897
Formula: C10H14O2
Smiles:
CC(O)C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
