Glycoside
GD142593
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{3-hydroxy-4-[7-(3-hydroxyprop-1-en-1-yl)-3,5-dimethyl-2,3-dihydro-1,4-benzodioxin-2-yl]phenoxy}oxane-3,4,5-triolFormula:
C30H38O14Smiles:
Cc1cc(C=CCO)cc2c1OC(C)C(c1ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc1O)O2Aglycone:
Cc1cc(C=CCO)cc2c1OC(C)C(c1ccc(O)cc1O)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.62 | Num_heavy_atoms: | 44 |
| TPSA: | 217.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD57379
Formula: C19H20O5
Smiles:
Cc1cc(C=CCO)cc2c1OC(C)C(c1ccc(O)cc1O)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.36 | Num_heavy_atoms: | 24 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
