Glycoside
GD155997
Name:
Khekadaengoside IFormula:
C36H52O11Smiles:
CC(C)=CC1OC2CC3(C)C4CC=C5C(C=C(OC6OC(CO)C(O)C(O)C6O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C1OAglycone:
CC(C)=CC1OC2CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 660.8 | Num_heavy_atoms: | 47 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61813
Formula: C30H42O6
Smiles:
CC(C)=CC1OC2CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
