Glycoside
GD119852
Name:
3,4,5-trihydroxy-6-{[(3-methylbutanoyl)oxy]methyl}oxan-2-yl 2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,18,22-nonaenoateFormula:
C41H60O8Smiles:
CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC(=O)CC(C)C)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O.COC(=O)CC(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.51 |
| AlogP: | 7.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 680.92 | Num_heavy_atoms: | 49 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48083
Formula: C30H42O2
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 9.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 434.66 | Num_heavy_atoms: | 32 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
