Glycoside
GD156382
Name:
Squarroside CFormula:
C48H78O19Smiles:
CC(C)=CC1OC(OC2OC(CO)C(O)C(O)C2O)C(C2CCC3(C)C4CCC5C(C)(CO)C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)CCC56CC46CCC23C)C1OAglycone:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13Sugarmoiety:
CC(C)=CC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 959.13 | Num_heavy_atoms: | 67 |
| TPSA: | 307.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46520
Formula: C22H36O2
Smiles:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.53 | Num_heavy_atoms: | 24 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
