Glycoside
GD133337
Name:
6-hydroxy-3'-(4-hydroxyphenyl)-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetrahydro-2H-spiro[furo[3,2-b]furan-3,2'-oxolane]-2,5'-dioneFormula:
C21H24O13Smiles:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.41 | Num_heavy_atoms: | 34 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD49078
Formula: C15H14O8
Smiles:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 23 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
