Glycoside
GD031303
Name:
NoneFormula:
C18H19O5N13Smiles:
Nc1nc2c(ncn2Cc2cn(C[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)nn2)c(=O)[nH]1Aglycone:
Cn1cc(Cn2cnc3c(=O)[nH]c(N)nc32)nn1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 497.44 | Num_heavy_atoms: | 36 |
| TPSA: | 259.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD20180
Formula: C9H10ON8
Smiles:
Cn1cc(Cn2cnc3c(=O)[nH]c(N)nc32)nn1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.23 | Num_heavy_atoms: | 18 |
| TPSA: | 120.3 | NumAromaticRings: | 3 |
