Glycoside
GD125522
Name:
2-[({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-[(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)oxy]oxane-3,4,5-triolFormula:
C33H56O14Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)C)OC1OC(COC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CSugarmoiety:
CC1OC(OC2C(C)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 676.8 | Num_heavy_atoms: | 47 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD45694
Formula: C15H26O
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
