Glycoside
GD134025
Name:
Nipponoside EFormula:
C47H76O19Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(O)CC4C4=CCC6C7(C)CCC(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 945.11 | Num_heavy_atoms: | 66 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48672
Formula: C29H46O5
Smiles:
CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
