Glycoside
GD029781
Name:
NoneFormula:
C29H32O9N4Cl2Smiles:
CC(C)N1CCC(C(=O)Nc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1Aglycone:
CC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 627.48 | Num_heavy_atoms: | 42 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD19332
Formula: C23H24O3N4Cl2
Smiles:
CC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.35 | Num_heavy_atoms: | 30 |
| TPSA: | 94.56 | NumAromaticRings: | 2 |
