Glycoside
GD122916
Name:
2-{4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H38O10Smiles:
COc1cc(CC(C)C(C)Cc2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(CC(C)C(C)Cc2cc(OC)c(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 522.59 | Num_heavy_atoms: | 37 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD49576
Formula: C21H28O5
Smiles:
COc1cc(CC(C)C(C)Cc2cc(OC)c(O)c(OC)c2)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
