Glycoside
GD146026
Name:
6-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-2-methylhepta-2,4-dienamideFormula:
C48H75O14NSmiles:
CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1CAglycone:
CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 890.12 | Num_heavy_atoms: | 63 |
| TPSA: | 237.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD50665
Formula: C36H55O4N
Smiles:
CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)=NC1C(=O)OC(C)C1C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 565.84 | Num_heavy_atoms: | 41 |
| TPSA: | 79.12 | NumAromaticRings: | 0 |
