Glycoside
GD023916
Name:
OBLONGANOSIDE JFormula:
C38H60O11Smiles:
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H]6O[C@H](CO)OC[C@@]6(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OC(CO)OCC6(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 692.89 | Num_heavy_atoms: | 49 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD16035
Formula: C32H50O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OC(CO)OCC6(C)C5CCC43C)C2C1(C)O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
