Glycoside
GD127251
Name:
2-{[5-(7-hydroperoxy-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O7Smiles:
C=CC(C)(CCC1(C)C(C)CCC2(C)C(C)=CC(OO)CC21)OC1OCC(O)C(O)C1OAglycone:
C=CC(C)(O)CCC1(C)C(C)CCC2(C)C(C)=CC(OO)CC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.6 | Num_heavy_atoms: | 32 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD51524
Formula: C20H34O3
Smiles:
C=CC(C)(O)CCC1(C)C(C)CCC2(C)C(C)=CC(OO)CC21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
