Glycoside
GD141891
Name:
14-hydroxy-10,15-dimethyl-5-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,â´.0â´,â¹.0¹¹,¹³.0¹âµ,¹â¸]octadec-8-ene-7,16-dioneFormula:
C24H30O13Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C1OC(=O)C=C2C3(C)C4OC4C(O)C4(C)C(=O)OC(C43)C3OC213Aglycone:
CC(O)C1OC(=O)C=C2C3(C)C4OC4C(O)C4(C)C(=O)OC(C43)C3OC213Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 197.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD57126
Formula: C18H20O8
Smiles:
CC(O)C1OC(=O)C=C2C3(C)C4OC4C(O)C4(C)C(=O)OC(C43)C3OC213| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 118.12 | NumAromaticRings: | 0 |
