Glycoside
GD144225
Name:
Pregnane Glycoside 1Formula:
C53H86O19Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(CO)C(O)C(O)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12CAglycone:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 15 |
| MolWt: | 1027.25 | Num_heavy_atoms: | 72 |
| TPSA: | 249.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45461
Formula: C26H40O5
Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.6 | Num_heavy_atoms: | 31 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
