Glycoside
GD156278
Name:
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H38O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CCCOC3OC(CO)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CCCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD46927
Formula: C21H28O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(CCCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
