Glycoside
GD136251
Name:
Karaviloside VFormula:
C43H72O14Smiles:
COC1C=C2C(CCC(OC3OC(CO)C(O)C(O)C3O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 228.22 | 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 |
