Glycoside
GD121441
Name:
2-[2-(4-{1,4-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]butan-2-yl}-2-methoxyphenoxy)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H46O15Smiles:
COc1cc(CC(CO)C(CO)c2ccc(OC(CO)C(OC3OC(CO)C(O)C(O)C3O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1OAglycone:
COc1cc(CC(CO)C(CO)c2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.49 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 17 |
| MolWt: | 706.74 | Num_heavy_atoms: | 50 |
| TPSA: | 237.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD48885
Formula: C29H36O10
Smiles:
COc1cc(CC(CO)C(CO)c2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 544.6 | Num_heavy_atoms: | 39 |
| TPSA: | 158.3 | NumAromaticRings: | 3 |
