Glycoside
GD036437
Name:
NoneFormula:
C25H27O9N7Smiles:
CC#CCOc1ccc(C(=O)N[C@H](Cc2cn(C[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)nn2)C(=O)NO)cc1Aglycone:
CC#CCOc1ccc(C(=O)NC(Cc2cn(C)nn2)C(=O)NO)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 569.53 | Num_heavy_atoms: | 41 |
| TPSA: | 222.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD22976
Formula: C17H19O4N5
Smiles:
CC#CCOc1ccc(C(=O)NC(Cc2cn(C)nn2)C(=O)NO)cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 357.37 | Num_heavy_atoms: | 26 |
| TPSA: | 118.37 | NumAromaticRings: | 2 |
