Glycoside
GD015678
Name:
NoneFormula:
C30H33O7N8BrSmiles:
O=C(CBr)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
O=C(CBr)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 697.55 | Num_heavy_atoms: | 46 |
| TPSA: | 212.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD11364
Formula: C25H24O3N8Br
Smiles:
O=C(CBr)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.42 | Num_heavy_atoms: | 37 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
