Glycoside
GD141691
Name:
Abrusoside BFormula:
C43H64O16Smiles:
COC(=O)C1OC(OC2CCC34CC35CCC3(C)C(C(C)C6CC=C(C)C(=O)O6)CCC3(C)C5CCC4C2(C)C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=OSugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 836.97 | Num_heavy_atoms: | 59 |
| TPSA: | 248.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD08702
Formula: C30H44O5
Smiles:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
