Glycoside
GD031997
Name:
1,4-dimethyl 2-[13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dien-1-yl]-2,3-dihydroxy-3-methylbutanedioateFormula:
C27H42O7Smiles:
COC(=O)C(C)(O)[C@](O)(C[C@H](C)CCCC(C)=CCCC(C)=CCCc1ccoc1)C(=O)OCAglycone:
CC(=CCCc1ccoc1)CCC=C(C)CCCC(C)CSugarmoiety:
COC(=O)C(C)(O)C(O)(O)C(=O)OCOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD20559
Formula: C20H32O
Smiles:
CC(=CCCc1ccoc1)CCC=C(C)CCCC(C)C| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 6.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 288.47 | Num_heavy_atoms: | 21 |
| TPSA: | 13.14 | NumAromaticRings: | 1 |
