Glycoside
GD143942
Name:
2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-1,1,4a-trimethyl-6-methylidene-decahydronaphthalen-2-yl]oxy}oxane-3,4,5-triolFormula:
C21H36O7Smiles:
C=C1CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1COAglycone:
C=C1CCC2C(C)(C)C(O)CCC2(C)C1COSugarmoiety:
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
AD48009
Formula: C15H26O2
Smiles:
C=C1CCC2C(C)(C)C(O)CCC2(C)C1CO| 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 |
