Glycoside
GD034437
Name:
1-[8-hydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-4-(4-hydroxyphenyl)but-3-en-2-oneFormula:
C31H44O10Smiles:
CC1=CC[C@H](O)[C@]2(C)[C@H](CC(=O)C=Cc3ccc(O)cc3)C[C@H](C(C)(C)O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1=CCC(O)C2(C)C(CC(=O)C=Cc3ccc(O)cc3)CC(C(C)(C)O)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 576.68 | Num_heavy_atoms: | 41 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD21893
Formula: C25H34O5
Smiles:
CC1=CCC(O)C2(C)C(CC(=O)C=Cc3ccc(O)cc3)CC(C(C)(C)O)C(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.54 | Num_heavy_atoms: | 30 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
