Glycoside
GD139231
Name:
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O13Smiles:
O=C1c2c(cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2O)OC(c2ccc(O)c(O)c2)C1OAglycone:
O=C1c2c(cc(O)c(O)c2O)OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD56143
Formula: C15H12O8
Smiles:
O=C1c2c(cc(O)c(O)c2O)OC(c2ccc(O)c(O)c2)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
