Glycoside
GD033046
Name:
NoneFormula:
C24H26O6N6Cl2Smiles:
O=C(Cc1c(Cl)cccc1Cl)NCCOCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=C(Cc1c(Cl)cccc1Cl)NCCOCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 541.39 | Num_heavy_atoms: | 36 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD21121
Formula: C19H17O2N6Cl2
Smiles:
O=C(Cc1c(Cl)cccc1Cl)NCCOCCNc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 408.27 | Num_heavy_atoms: | 27 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
