Glycoside
GD014722
Name:
NoneFormula:
C27H41O17NSmiles:
O=C(CO)N[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
NC(=O)CO.OCc1ccccc1Sugarmoiety:
OCC(O)C1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | -6.23 | Num_rotatable_bonds: | 13 |
| MolWt: | 651.62 | Num_heavy_atoms: | 45 |
| TPSA: | 286.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03871
Formula: C2H5O2N
Smiles:
NC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
