Glycoside
GD008549
Name:
NoneFormula:
C17H22O9N7ClSSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COC(=O)CS(=O)(=O)NCCNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -3.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 523.91 | Num_heavy_atoms: | 34 |
| TPSA: | 240.85 | NumAromaticRings: | 2 |
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 |
AD06817
Formula: C8H13O5N2ClS
Smiles:
COC(=O)CS(=O)(=O)NCCNC(=O)CCl| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 272.71 | Num_heavy_atoms: | 16 |
| TPSA: | 101.57 | NumAromaticRings: | 0 |
