Glycoside
GD150257
Name:
5-({2-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,7,10,13,16,19,22-heptaoxapentacos-24-en-1-yl}oxy)-2-methyl-1,3-dioxane-2-carboxylic acidFormula:
C42H74O28Smiles:
C=CCOCCOCCOCCOCCOCCOCCOCC(COC1COC(C)(C(=O)O)OC1)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
C=CCOCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)O)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -6.65 | Num_rotatable_bonds: | 35 |
| MolWt: | 1027.03 | Num_heavy_atoms: | 70 |
| TPSA: | 387.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD60036
Formula: C24H44O13
Smiles:
C=CCOCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)O)OC1| HBA: | 13 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 26 |
| MolWt: | 540.6 | Num_heavy_atoms: | 37 |
| TPSA: | 149.83 | NumAromaticRings: | 0 |
