Glycoside
GD157019
Name:
2-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxy-6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O14Smiles:
COc1c(C)c(O)c2c(c1C)OC(c1ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc1)CC2=OAglycone:
COc1c(C)c(O)c2c(c1C)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.59 | Num_heavy_atoms: | 43 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD56569
Formula: C18H18O5
Smiles:
COc1c(C)c(O)c2c(c1C)OC(c1ccc(O)cc1)CC2=O| 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 |
