Glycoside
GD130821
Name:
5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C24H28O13Smiles:
COc1cc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3C2=O)cc(O)c1OCAglycone:
COc1cc(C2COc3cc(O)c(OC)c(O)c3C2=O)cc(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD53006
Formula: C18H18O8
Smiles:
COc1cc(C2COc3cc(O)c(OC)c(O)c3C2=O)cc(O)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
