Glycoside
GD120502
Name:
2-{2-[2,6-dimethoxy-4-(prop-1-en-1-yl)phenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O12Smiles:
CC=Cc1cc(OC)c(OC(C)C(OC2OC(CO)C(O)C(O)C2O)c2cc(OC)c(O)c(OC)c2)c(OC)c1Aglycone:
CC=Cc1cc(OC)c(OC(C)C(O)c2cc(OC)c(O)c(OC)c2)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD48418
Formula: C22H28O7
Smiles:
CC=Cc1cc(OC)c(OC(C)C(O)c2cc(OC)c(O)c(OC)c2)c(OC)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
