Glycoside
GD030807
Name:
ABRUSOSIDE AFormula:
C36H54O10Smiles:
CC1=CC[C@H]([C@H](C)[C@@H]2CC[C@]3(C)[C@@H]4CC[C@H]5[C@]6(CC[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@]5(C)C(=O)O)C[C@@]46CC[C@]23C)OC1=OAglycone:
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(O)CCC56CC46CCC23C)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 646.82 | Num_heavy_atoms: | 46 |
| TPSA: | 162.98 | 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 |
