Glycoside
GD031994
Name:
NoneFormula:
C47H70O17Smiles:
CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](O[C@H]4C[C@@H](O)[C@@H](O[C@H]5C[C@@H](O)[C@@H](O[C@H]6C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O6)[C@H](C)O5)[C@H](C)O4)CC[C@@]32C)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]12CAglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(C3=CC(=O)OC3)C12CSugarmoiety:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 907.06 | Num_heavy_atoms: | 64 |
| TPSA: | 221.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD14267
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(C3=CC(=O)OC3)C12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
