Glycoside
GD133331
Name:
squoside aFormula:
C31H50O11Smiles:
C=C(C)C1CCC2(C)C1CC(O)C(C)=CCCC1(C)OC1C2OC1OC(C)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
C=C(C)C1CCC2(C)C(O)C3OC3(C)CCC=C(C)C(O)CC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 598.73 | Num_heavy_atoms: | 42 |
| TPSA: | 170.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD53967
Formula: C20H32O3
Smiles:
C=C(C)C1CCC2(C)C(O)C3OC3(C)CCC=C(C)C(O)CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
