Glycoside
GD027298
Name:
NoneFormula:
C45H72O17Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@H]6O[C@@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@@H]4CC(=O)[C@@]3(C)[C@@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 885.05 | Num_heavy_atoms: | 62 |
| TPSA: | 252.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01186
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
