Glycoside
GD122458
Name:
NoneFormula:
C55H90O23Smiles:
C=C(C)C(O)CCC(C)(O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(OC7OCC(O)C(OC)C7O)C6O)C(O)C5O)CCC4(C)C3CCC12COAglycone:
C=C(C)C(O)CCC(C)(O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12COSugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 17 |
| MolWt: | 1119.3 | Num_heavy_atoms: | 78 |
| TPSA: | 352.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD49346
Formula: C32H52O6
Smiles:
C=C(C)C(O)CCC(C)(O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
