Glycoside
GD031219
Name:
NoneFormula:
C44H52O16N2Smiles:
O=C(NCCOCCOCCNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
O=C(NCCOCCOCCNC(=O)c1cccc(-c2ccc(O)cc2)c1)c1cccc(-c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 19 |
| MolWt: | 864.9 | Num_heavy_atoms: | 62 |
| TPSA: | 275.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD20126
Formula: C32H32O6N2
Smiles:
O=C(NCCOCCOCCNC(=O)c1cccc(-c2ccc(O)cc2)c1)c1cccc(-c2ccc(O)cc2)c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 13 |
| MolWt: | 540.62 | Num_heavy_atoms: | 40 |
| TPSA: | 117.12 | NumAromaticRings: | 4 |
