Glycoside
GD133670
Name:
Trilocularoside AFormula:
C36H56O13Smiles:
CC1(O)C(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C21Aglycone:
CC1(O)C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54085
Formula: C30H46O8
Smiles:
CC1(O)C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C21| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 0 |
