Glycoside
GD147561
Name:
2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,6,10-trimethyldodeca-2,6,10-trien-1-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]oxane-3,4,5-triolFormula:
C32H54O14Smiles:
CC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC=C(C)CCC=C(C)CCC=C(C)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 662.77 | Num_heavy_atoms: | 46 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD53812
Formula: C15H26O
Smiles:
CC=C(C)CCC=C(C)CCC=C(C)CO| 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 |
