Glycoside
GD029737
Name:
NoneFormula:
C28H32O9N4ClBrSmiles:
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(Br)cc2C(=O)Nc2ccc(Cl)cn2)CC1Aglycone:
CC(C)N1CCC(C(=O)Nc2c(O)cc(Br)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: | 2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 671.93 | Num_heavy_atoms: | 42 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD19310
Formula: C22H24O3N4ClBr
Smiles:
CC(C)N1CCC(C(=O)Nc2c(O)cc(Br)cc2C(=O)Nc2ccc(Cl)cn2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.81 | Num_heavy_atoms: | 30 |
| TPSA: | 94.56 | NumAromaticRings: | 2 |
