Glycoside
GD152527
Name:
2-({3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H30O10Smiles:
COc1cc(C2Oc3ccc(C=CCOC4OC(CO)C(O)C(O)C4O)cc3C2CO)ccc1OAglycone:
COc1cc(C2Oc3ccc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.51 | Num_heavy_atoms: | 35 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD60727
Formula: C19H20O5
Smiles:
COc1cc(C2Oc3ccc(C=CCO)cc3C2CO)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.36 | Num_heavy_atoms: | 24 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
