Glycoside
GD156703
Name:
23,31-bis({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,34,38-triene-1,7,11,15,19,27-hexolFormula:
C64H120O18Smiles:
COC1C(CO)OC(OC(C)(CCC=C(C)CCC=C(C)C)CCCC(C)(O)CCCC(C)(CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)=CCO)OC2OC(CO)C(OC)C(O)C2O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)=CCOSugarmoiety:
COC1C(CO)OC(O)C(O)C1O.COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 43 |
| MolWt: | 1177.65 | Num_heavy_atoms: | 82 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62024
Formula: C50H96O8
Smiles:
CC(C)=CCCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)=CCO| HBA: | 8 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 10.85 | Num_rotatable_bonds: | 35 |
| MolWt: | 825.31 | Num_heavy_atoms: | 58 |
| TPSA: | 161.84 | NumAromaticRings: | 0 |
