Glycoside
GD132832
Name:
Operculinic_Acid_BFormula:
C46H82O25Smiles:
CCCCCC(CCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.98 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 26 |
| MolWt: | 1035.14 | Num_heavy_atoms: | 71 |
| TPSA: | 392.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD02342
Formula: C16H32O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD05623
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O