Glycoside
GD035155
Name:
8-hydroxy-5,8a-dimethyl-3-(propan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H42O10Smiles:
CC1=CC[C@H](O)[C@]2(C)[C@H](OC(=O)C=Cc3ccc(O)cc3)C[C@H](C(C)C)[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(OC(=O)C=Cc3ccc(O)cc3)CC(C(C)C)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD22260
Formula: C24H32O5
Smiles:
CC1=CCC(O)C2(C)C(OC(=O)C=Cc3ccc(O)cc3)CC(C(C)C)C(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
