Glycoside
GD145033
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-[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]pent-2-enoateFormula:
C35H54O6Smiles:
C=C(C)C1CC=C(CCC=C(C)C(=O)OC2COC(OCC(C)CCCC3=CCC(C(=C)C)CC3)C(O)C2O)CC1Aglycone:
C=C(C)C1CC=C(CCC=C(C)C(=O)O)CC1.C=C(C)C1CC=C(CCCC(C)CO)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 7.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 570.81 | Num_heavy_atoms: | 41 |
| TPSA: | 85.22 | 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 |
AD58242
Formula: C15H22O2
Smiles:
C=C(C)C1CC=C(CCC=C(C)C(=O)O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
