Glycoside
GD147226
Name:
4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C29H42O8Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OCC(OC(C)=O)C(OC(C)=O)C5O)CCCC4(C)C2CCC1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.65 | Num_heavy_atoms: | 37 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD55028
Formula: C20H30O2
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
