Glycoside
GD141627
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C31H48O12Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)CCCC4(C)C2CC(O)C1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC(O)C1C3Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 612.71 | Num_heavy_atoms: | 43 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD09018
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC(O)C1C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
