Glycoside
GD144986
Name:
Ternstroemiaside EFormula:
C62H100O29Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CCC12COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CCC12COSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.94 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 16 |
| MolWt: | 1309.45 | Num_heavy_atoms: | 91 |
| TPSA: | 459.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD58223
Formula: C32H52O4
Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CCC12CO| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 6.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD07529
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O