Glycoside
GD151098
Name:
2-[2-(3,7-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,6-dien-1-yl)-4-hydroxy-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H44O13Smiles:
CC(=CCc1cc(O)c(C)cc1OC1OC(CO)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCc1cc(O)c(C)cc1O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.66 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 12 |
| MolWt: | 600.66 | Num_heavy_atoms: | 42 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD52473
Formula: C17H24O3
Smiles:
CC(=CCCC(C)=CCc1cc(O)c(C)cc1O)CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 276.38 | Num_heavy_atoms: | 20 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
