Glycoside
GD001460
Name:
NoneFormula:
C26H28O8N8Smiles:
O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)c2)cc1Aglycone:
O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc4c(c(NC5CCCO5)n3)N=C[N]4)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.56 | Num_heavy_atoms: | 42 |
| TPSA: | 219.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD01462
Formula: C21H19O4N8
Smiles:
O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc4c(c(NC5CCCO5)n3)N=C[N]4)c2)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.44 | Num_heavy_atoms: | 33 |
| TPSA: | 157.72 | NumAromaticRings: | 3 |
