Glycoside
GD021852
Name:
7,8-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O11Smiles:
O=C1CC(c2ccc(O)cc2)Oc2c(O)c(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2c(O)c(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD14877
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2c(O)c(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
