Glycoside
GD008923
Name:
NoneFormula:
C16H20O6N8Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)NCCc3c[nH]cn3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)NCCc1c[nH]cn1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.39 | Num_heavy_atoms: | 30 |
| TPSA: | 206.29 | NumAromaticRings: | 3 |
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 |
AD07066
Formula: C7H11O2N3
Smiles:
COC(=O)NCCc1c[nH]cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 67.01 | NumAromaticRings: | 1 |
