Glycoside
GD001195
Name:
STELLIFERIN RIBOSIDEFormula:
C37H56O8Smiles:
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=C(C)C(CC=C(C)C)O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@]3(C)CC[C@H]2C1(C)CAglycone:
CC(=O)OC1CCC2(C)C3CC(=O)C(=C(C)C=CC=C(C)C(O)CC=C(C)C)C3(C)CCC2C1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.85 | Num_heavy_atoms: | 45 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD01244
Formula: C32H48O4
Smiles:
CC(=O)OC1CCC2(C)C3CC(=O)C(=C(C)C=CC=C(C)C(O)CC=C(C)C)C3(C)CCC2C1(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 7.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.73 | Num_heavy_atoms: | 36 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
