Glycoside
GD141381
Name:
Borivilianoside FFormula:
C73H118O39Smiles:
C=C1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(OC7OCC(O)C(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(OC4OCC(O)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 14 |
| HBD: | 21 | FractionCSP3: | 0.97 |
| AlogP: | -8.36 | Num_rotatable_bonds: | 20 |
| MolWt: | 1619.71 | Num_heavy_atoms: | 112 |
| TPSA: | 590.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD08483
Formula: C27H42O3
Smiles:
C=C1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD06889
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(OC4OCC(O)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O