Glycoside
GD109970
Name:
NoneFormula:
C38H54O16Smiles:
COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@H](COC(C)=O)OC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)OCC(OC(C)=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 766.83 | Num_heavy_atoms: | 54 |
| TPSA: | 213.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD44601
Formula: C25H38O7
Smiles:
CC(=O)OCC(OC(C)=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.57 | Num_heavy_atoms: | 32 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
