Glycoside
GD153404
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(8'-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6,6'-dimethyl-[2,2'-binaphthalene]-1,1'-diyl)oxy]oxane-3,4,5-triolFormula:
C44H54O22Smiles:
Cc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2c(O)c(-c3ccc4cc(C)cc(OC5OC(COC6OCC(O)(CO)C6O)C(O)C(O)C5O)c4c3O)ccc2c1Aglycone:
Cc1cc(O)c2c(O)c(-c3ccc4cc(C)cc(O)c4c3O)ccc2c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.55 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 934.89 | Num_heavy_atoms: | 66 |
| TPSA: | 357.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD61011
Formula: C22H18O4
Smiles:
Cc1cc(O)c2c(O)c(-c3ccc4cc(C)cc(O)c4c3O)ccc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.38 | Num_heavy_atoms: | 26 |
| TPSA: | 80.92 | NumAromaticRings: | 4 |
