Glycoside
GD121813
Name:
Karaviloside IvFormula:
C37H62O9Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)C(O)C(C=C(C)C)OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)C(O)C(O)C=C(C)C)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.89 | Num_heavy_atoms: | 46 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD49055
Formula: C31H52O4
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)C(O)C(O)C=C(C)C)CCC3(C)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
