Glycoside
GD143254
Name:
squarroside viiFormula:
C54H90O20Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)COAglycone:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)COSugarmoiety:
CC1OC(OCC2OC(OC3C(C)OC(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 14 |
| MolWt: | 1059.29 | Num_heavy_atoms: | 74 |
| TPSA: | 316.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46200
Formula: C30H50O3
Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
