Glycoside
GD031037
Name:
NoneFormula:
C35H37O9N9S2Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1ccc(S(=O)(=O)O)cc1Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 791.87 | Num_heavy_atoms: | 55 |
| TPSA: | 262.51 | NumAromaticRings: | 5 |
Unique Aglycone
AD20040
Formula: C30H28O5N9S2
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc(S(=O)(=O)O)cc1| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 658.75 | Num_heavy_atoms: | 46 |
| TPSA: | 201.23 | NumAromaticRings: | 4 |
