Glycoside
GD020073
Name:
ASIATICOSIDE BFormula:
C37H54O9Smiles:
CC(=O)O[C@@H]1C[C@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC=C3[C@]2(C)C[C@@H]3OC(C(=O)C(C)C)=C[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC(C(=O)C(C)C)=CC(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 642.83 | Num_heavy_atoms: | 46 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD13917
Formula: C32H46O5
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC(C(=O)C(C)C)=CC(C)C3C12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.72 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
