Glycoside
GD011691
Name:
NoneFormula:
C36H45O21NSmiles:
O=C(O)[C@@H]1Cc2cc(O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc2N1C(=O)C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 827.74 | Num_heavy_atoms: | 58 |
| TPSA: | 355.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD03435
Formula: C18H15O6N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.32 | Num_heavy_atoms: | 25 |
| TPSA: | 118.3 | NumAromaticRings: | 2 |
