Glycoside
GD116386
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylateFormula:
C36H56O11Smiles:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12CAglycone:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 186.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46207
Formula: C30H46O6
Smiles:
CC(CC(=O)C1OC1(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 107.36 | NumAromaticRings: | 0 |
