Glycoside
GD134860
Name:
Acanjaposide BFormula:
C47H72O18Smiles:
C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.87 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 925.07 | Num_heavy_atoms: | 65 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD21851
Formula: C29H42O4
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.65 | Num_heavy_atoms: | 33 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
