Glycoside
GD135014
Name:
3-hydroxy-2-methyl-6-{[6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-yl]oxy}-5-[(2-methylbut-2-enoyl)oxy]oxan-4-yl 2-methylbut-2-enoateFormula:
C31H48O7Smiles:
CC=C(C)C(=O)OC1C(OC(C)(CCC=C(C)C)C2CC=C(C)CC2)OC(C)C(O)C1OC(=O)C(C)=CCAglycone:
CC(C)=CCCC(C)(O)C1CC=C(C)CC1.CC=C(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 532.72 | Num_heavy_atoms: | 38 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD10980
Formula: C15H26O
Smiles:
CC(C)=CCCC(C)(O)C1CC=C(C)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
