Glycoside
GD139191
Name:
2-({2-[(11-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10-trimethylundeca-1,5,9-trien-1-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C44H74O24Smiles:
CC(=CCCC(C)=COC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCCC(C)=CO)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.86 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 19 |
| MolWt: | 987.05 | Num_heavy_atoms: | 68 |
| TPSA: | 375.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD52598
Formula: C14H24O2
Smiles:
CC(=CCCC(C)=CCCC(C)=CO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 224.34 | Num_heavy_atoms: | 16 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
Sugarmoiety
SD07140
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O