Glycoside
GD140316
Name:
5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H26O12Smiles:
COc1c(O)ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c1OCAglycone:
COc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD56579
Formula: C17H16O7
Smiles:
COc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
