Glycoside
GD018070
Name:
NoneFormula:
C35H36O8N10SSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1ccc([N+](=O)[O-])cc1Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 756.8 | Num_heavy_atoms: | 54 |
| TPSA: | 251.28 | NumAromaticRings: | 5 |
Unique Aglycone
AD12810
Formula: C30H27O4N10S
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc([N+](=O)[O-])cc1| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 623.68 | Num_heavy_atoms: | 45 |
| TPSA: | 190.0 | NumAromaticRings: | 4 |
