Glycoside
GD133484
Name:
20-Hydroxy-11-Oxomogroside Ia1Formula:
C36H60O10Smiles:
CC(C)(O)C(CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54026
Formula: C30H50O5
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
