Glycoside
GD122450
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{3-hydroxy-4-[7-(3-hydroxyprop-1-en-1-yl)-5-methoxy-3-methyl-2,3-dihydro-1,4-benzodioxin-2-yl]phenoxy}oxane-3,4,5-triolFormula:
C30H38O15Smiles:
COc1cc(C=CCO)cc2c1OC(C)C(c1ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc1O)O2Aglycone:
COc1cc(C=CCO)cc2c1OC(C)C(c1ccc(O)cc1O)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 226.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD49340
Formula: C19H20O6
Smiles:
COc1cc(C=CCO)cc2c1OC(C)C(c1ccc(O)cc1O)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
