Glycoside
GD150988
Name:
3,5-dihydroxy-2-methyl-6-{[6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-yl]oxy}oxan-4-yl 3-methylpent-2-enoateFormula:
C27H44O6Smiles:
CCC(C)=CC(=O)OC1C(O)C(C)OC(OC(C)(CCC=C(C)C)C2CC=C(C)CC2)C1OAglycone:
CC(C)=CCCC(C)(O)C1CC=C(C)CC1.CCC(C)=CC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD02169
Formula: C6H10O2
Smiles:
CCC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| 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 |
