Glycoside
GD013773
Name:
NoneFormula:
C38H58O10Smiles:
CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@@]4(C(=O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]23C)C1(C)CAglycone:
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=C(C(C)C)C(=O)CC4(C(=O)O)CCC23C)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 674.87 | Num_heavy_atoms: | 48 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD03351
Formula: C32H48O5
Smiles:
CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4=C(C(C)C)C(=O)CC4(C(=O)O)CCC23C)C1(C)C| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
