Glycoside
GD114715
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 14-[(acetyloxy)methyl]-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C33H52O14Smiles:
CC(=O)OCC1(O)CC23CCC4C(C)(C(=O)OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)CCCC4(C)C2CCC1C3Aglycone:
CC(=O)OCC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.76 | Num_heavy_atoms: | 47 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45229
Formula: C22H34O5
Smiles:
CC(=O)OCC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.51 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
