Glycoside
GD149216
Name:
1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-benzyl-2-hydroxybutanedioateFormula:
C37H44O17Smiles:
O=C(CC(O)(Cc1ccccc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 760.74 | Num_heavy_atoms: | 54 |
| TPSA: | 271.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD59673
Formula: C25H24O7
Smiles:
O=C(CC(O)(Cc1ccccc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 436.46 | Num_heavy_atoms: | 32 |
| TPSA: | 113.29 | NumAromaticRings: | 3 |
