Glycoside
GD121323
Name:
2-{3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)oxane-3,4,5-triolFormula:
C33H44O14Smiles:
COc1ccc(-c2cc3cc(CCCOC4OC(COC5CC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc(OC)c3o2)cc1OCAglycone:
COC1CC(CO)C(O)C(O)C1O.COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 13 |
| MolWt: | 664.7 | Num_heavy_atoms: | 47 |
| TPSA: | 210.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD44438
Formula: C20H22O5
Smiles:
COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 61.06 | NumAromaticRings: | 3 |
AD47730
Formula: C8H16O5
Smiles:
COC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
