Glycoside
GD012976
Name:
Ergosteryl 3-Beta-D-GlucosideFormula:
C34H54O6Smiles:
CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD09741
Formula: C28H44O
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.66 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
