Glycoside
GD147464
Name:
3,4,5-trihydroxy-6-{[3-(2-hydroxy-3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C24H28O12Smiles:
COc1cc(C2COc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3C2)c(O)c(OC)c1OCAglycone:
COc1cc(C2COc3cc(O)ccc3C2)c(O)c(OC)c1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD59056
Formula: C18H20O6
Smiles:
COc1cc(C2COc3cc(O)ccc3C2)c(O)c(OC)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
