Glycoside
GD109976
Name:
NoneFormula:
C36H52O14Smiles:
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2(O)C(=O)CO)C1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.8 | Num_heavy_atoms: | 50 |
| TPSA: | 187.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD44602
Formula: C23H36O5
Smiles:
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2(O)C(=O)CO)C1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.54 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
