Glycoside
GD140325
Name:
6'-O-Beta-D-Apiofuranosyl-Mussaenosidic AcidFormula:
C21H32O14Smiles:
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C21Aglycone:
CC1(O)CCC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.47 | Num_heavy_atoms: | 35 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
