Glycoside
GD007740
Name:
Pregnadienolone-3-O-Beta-D-ChacotriosideFormula:
C39H60O15Smiles:
CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06271
Formula: C21H30O2
Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.47 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
