Glycoside
GD154114
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 4'-(benzoyloxy)-3,3a,4-trihydroxy-5'-methyl-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylateFormula:
C33H46O19Smiles:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC(O)C1(O)C2OAglycone:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 746.71 | Num_heavy_atoms: | 52 |
| TPSA: | 301.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD05264
Formula: C21H26O9
Smiles:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
