Glycoside
GD157116
Name:
2-{[3-(4-hydroxy-3-methoxyphenyl)-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy}oxane-3,4,5-triolFormula:
C24H30O10Smiles:
COc1cc(C2Oc3ccc(CCCO)cc3OC2COC2OCC(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3ccc(CCCO)cc3OC2CO)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.49 | Num_heavy_atoms: | 34 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD50974
Formula: C19H22O6
Smiles:
COc1cc(C2Oc3ccc(CCCO)cc3OC2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
