Glycoside
GD129058
Name:
2-{4-hydroxy-3-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O12Smiles:
COc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(CO)C(O)c2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(CC(CO)C(CO)C(O)c2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD47839
Formula: C20H26O7
Smiles:
COc1cc(CC(CO)C(CO)C(O)c2ccc(O)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 378.42 | Num_heavy_atoms: | 27 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
