Glycoside
GD135174
Name:
5'-({[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4'-dihydroxy-3-(hydroxymethyl)-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylic acidFormula:
C21H34O12Smiles:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(COC3CC(O)C(O)C(CO)O3)CO1)C2(O)COAglycone:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(CO)CO1)C2(O)COSugarmoiety:
OCC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.49 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD54525
Formula: C15H24O8
Smiles:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(CO)CO1)C2(O)CO| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.35 | Num_heavy_atoms: | 23 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
