Glycoside
GD124670
Name:
2-[(6-{3-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H36O14Smiles:
OCC1OC(OCC2OC(OCCCc3ccc4oc(-c5ccc6c(c5)OCO6)cc4c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 210.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD50379
Formula: C18H16O4
Smiles:
OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 51.83 | NumAromaticRings: | 3 |
