Glycoside
GD148254
Name:
2-[(3,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-oneFormula:
C21H22O12Smiles:
O=C1c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1Aglycone:
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD59334
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
