Glycoside
GD033159
Name:
NoneFormula:
C39H62O14Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC(=O)[C@@]5(O)C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD08950
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(=O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
