Glycoside
GD031071
Name:
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C24H28O12Smiles:
COc1c(O)cc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C)c3O2)cc1OAglycone:
COc1c(O)cc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD20051
Formula: C18H18O7
Smiles:
COc1c(O)cc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
