Glycoside
GD124668
Name:
5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O15Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c(C)c3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD19157
Formula: C18H18O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
