Glycoside
GD031265
Name:
NoneFormula:
C26H30O6N7ClSmiles:
NC(N)=Nc1nc(-c2cccc(N3CCN(C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)c2)c2cc(Cl)ccc2n1Aglycone:
NC(N)=Nc1nc(-c2cccc(N3CCNCC3)c2)c2cc(Cl)ccc2n1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.01 | Num_heavy_atoms: | 39 |
| TPSA: | 214.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD20157
Formula: C20H20N7Cl
Smiles:
NC(N)=Nc1nc(-c2cccc(N3CCNCC3)c2)c2cc(Cl)ccc2n1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 381.87 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 3 |
