Glycoside
GD157551
Name:
4,5-dihydroxy-6-({2-methyl-5-[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]pentyl}oxy)oxan-3-yl 2-methyl-5-[6-oxo-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]pent-2-enoateFormula:
C35H52O7Smiles:
C=C(C)C1CC=C(CCCC(C)COC2OCC(OC(=O)C(C)=CCCC3=CCC(C(=C)C)CC3=O)C(O)C2O)CC1Aglycone:
C=C(C)C1CC=C(CCC=C(C)C(=O)O)C(=O)C1.C=C(C)C1CC=C(CCCC(C)CO)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.66 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 14 |
| MolWt: | 584.79 | Num_heavy_atoms: | 42 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50326
Formula: C15H26O
Smiles:
C=C(C)C1CC=C(CCCC(C)CO)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD62279
Formula: C15H20O3
Smiles:
C=C(C)C1CC=C(CCC=C(C)C(=O)O)C(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
