Glycoside
GD149013
Name:
Khekadaengoside LFormula:
C34H48O13Smiles:
CC1OC(OC2C(OC3=CC4C(=CCC5C4(C)C(=O)CC4(C)CC(=O)CC54C)C(C)(C)C3=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)CC(=O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD59592
Formula: C22H28O4
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)CC(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 356.46 | Num_heavy_atoms: | 26 |
| TPSA: | 71.44 | NumAromaticRings: | 0 |
