Glycoside
GD120563
Name:
1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-(propan-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioateFormula:
C39H54O22Smiles:
CC(C)C(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)(OC1OC(CO)C(O)C(O)C1O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 17 |
| MolWt: | 874.84 | Num_heavy_atoms: | 61 |
| TPSA: | 350.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD48453
Formula: C21H24O7
Smiles:
CC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
