Glycoside
GD027395
Name:
NoneFormula:
C19H22O6N10Smiles:
Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)n(C)c1=OAglycone:
CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.45 | Num_heavy_atoms: | 35 |
| TPSA: | 210.23 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18006
Formula: C10H13O3N5
Smiles:
CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.25 | Num_heavy_atoms: | 18 |
| TPSA: | 90.92 | NumAromaticRings: | 2 |
