Glycoside
GD028768
Name:
2-[(4,5-dihydroxy-6-{[4-(5-hydroxy-3-methylpent-3-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O11Smiles:
CC(=CCO)CC[C@]1(C)[C@H](C)C[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@]2(C)C(C)=CCC[C@@H]21Aglycone:
CC(=CCO)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.77 | Num_heavy_atoms: | 43 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD16890
Formula: C20H34O2
Smiles:
CC(=CCO)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
