Glycoside
GD026663
Name:
NoneFormula:
C33H33O9N5Cl2Smiles:
CN1CCCN(c2ccc(C(=O)Nc3c(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1Aglycone:
CN1CCCN(c2ccc(C(=O)Nc3c(O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 690.54 | Num_heavy_atoms: | 47 |
| TPSA: | 194.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD17563
Formula: C27H25O3N5Cl2
Smiles:
CN1CCCN(c2ccc(C(=O)Nc3c(O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.41 | Num_heavy_atoms: | 35 |
| TPSA: | 97.8 | NumAromaticRings: | 3 |
