Glycoside
GD021260
Name:
NoneFormula:
C33H55O18NSmiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C[C@H]1O[C@H](C)C(=O)OAglycone:
CC(OC1CC(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)CC1O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 753.79 | Num_heavy_atoms: | 52 |
| TPSA: | 286.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD14564
Formula: C19H32O8
Smiles:
CC(OC1CC(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)CC1O)C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
