Glycoside
GD005410
Name:
NoneFormula:
C42H37O7N2ClSmiles:
O=C1CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1Aglycone:
O=C1CN(c2ccc(Cc3ccccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 705.21 | Num_heavy_atoms: | 51 |
| TPSA: | 130.77 | NumAromaticRings: | 5 |
Unique Aglycone
AD04600
Formula: C36H27O2N2Cl
Smiles:
O=C1CN(c2ccc(Cc3ccccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 4 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 7.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 543.07 | Num_heavy_atoms: | 40 |
| TPSA: | 40.62 | NumAromaticRings: | 5 |
