Glycoside
GD006291
Name:
NoneFormula:
C32H54O22N2Smiles:
CC(=O)N[C@H]1[C@H](C[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1OAglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(=O)NC1C(O)OC(CO)C(O)C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.91 |
| AlogP: | -8.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 818.78 | Num_heavy_atoms: | 56 |
| TPSA: | 393.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD00077
Formula: C11H19O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
AD05220
Formula: C9H17O5N
Smiles:
CC(=O)NC1C(O)OC(CO)C(O)C1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 219.24 | Num_heavy_atoms: | 15 |
| TPSA: | 99.02 | NumAromaticRings: | 0 |
