Glycoside
GD033705
Name:
2-{[5-hydroxy-8a-methyl-4-methylidene-6-(propan-2-yl)-decahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O7Smiles:
C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@H]12Aglycone:
C=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD21495
Formula: C15H26O2
Smiles:
C=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
