Glycoside
GD009592
Name:
NoneFormula:
C21H33O13NSmiles:
CC(C)(C)C(=O)c1cc(CO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)on1Aglycone:
CC(C)(C)C(=O)c1cc(CO)on1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 507.49 | Num_heavy_atoms: | 35 |
| TPSA: | 221.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD07508
Formula: C9H13O3N
Smiles:
CC(C)(C)C(=O)c1cc(CO)on1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 63.33 | NumAromaticRings: | 1 |
