Glycoside
GD138267
Name:
Quadranoside XiFormula:
C43H62O15Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.77 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 818.95 | Num_heavy_atoms: | 58 |
| TPSA: | 264.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD55831
Formula: C37H52O10
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C12| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 656.81 | Num_heavy_atoms: | 47 |
| TPSA: | 184.98 | NumAromaticRings: | 1 |
