Glycoside
GD019865
Name:
NoneFormula:
C34H54O13Smiles:
C[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]12Aglycone:
CC1C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 670.79 | Num_heavy_atoms: | 47 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD13802
Formula: C22H34O3
Smiles:
CC1C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
