Glycoside
GD017883
Name:
NoneFormula:
C25H28O6N8Smiles:
O=C(NCc1ccccc1)c1cnn(-c2nc(N[C@@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
O=C(NCc1ccccc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.55 | Num_heavy_atoms: | 39 |
| TPSA: | 181.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD12712
Formula: C20H19O2N8
Smiles:
O=C(NCc1ccccc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.43 | Num_heavy_atoms: | 30 |
| TPSA: | 120.42 | NumAromaticRings: | 3 |
