Glycoside
GD012699
Name:
NoneFormula:
C25H24O7N7BrSmiles:
O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1ccco1Aglycone:
O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1N=C[N]2)c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.41 | Num_heavy_atoms: | 40 |
| TPSA: | 192.81 | NumAromaticRings: | 5 |
Unique Aglycone
AD09548
Formula: C20H15O3N7Br
Smiles:
O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1N=C[N]2)c1ccco1| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.29 | Num_heavy_atoms: | 31 |
| TPSA: | 131.53 | NumAromaticRings: | 4 |
