Glycoside
GD020731
Name:
NoneFormula:
C43H66O15Smiles:
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](O)[C@H](O)[C@H](C)O6)[C@H](C)O5)[C@H](C)O4)CC[C@@]32C)[C@]2(O)CCC(C3=CC(=O)OC3)[C@]12CAglycone:
CC(=O)OC1CC2C(CCC3CC(O)CCC32C)C2(O)CCC(C3=CC(=O)OC3)C12CSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 822.99 | Num_heavy_atoms: | 58 |
| TPSA: | 209.13 | 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 |
