Glycoside
GD142651
Name:
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:
C24H30O12Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C1OC(=O)C=C2C3(C)C4OC4CC4(C)C(=O)OC(C43)C3OC213Aglycone:
CC(O)C1OC(=O)C=C2C3(C)C4OC4CC4(C)C(=O)OC(C43)C3OC213Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 177.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD57407
Formula: C18H20O7
Smiles:
CC(O)C1OC(=O)C=C2C3(C)C4OC4CC4(C)C(=O)OC(C43)C3OC213| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 97.89 | NumAromaticRings: | 0 |
