Glycoside
GD114970
Name:
2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O12Smiles:
COc1cc(C(O)C(COC2OC(CO)C(O)C(O)C2O)Oc2ccc(CCCO)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD45390
Formula: C20H26O7
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2OC)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 378.42 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
