Glycoside
GD141515
Name:
Pregnane Glycoside 8Formula:
C53H86O20Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)O)C12CAglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 15 |
| MolWt: | 1043.25 | Num_heavy_atoms: | 73 |
| TPSA: | 269.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57000
Formula: C26H40O5
Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)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 |
