Glycoside
GD026219
Name:
NoneFormula:
C16H20O10N7ClSSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)NC(=O)OCCNC(=O)CCl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COS(=O)(=O)NC(=O)OCCNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.88 | Num_heavy_atoms: | 34 |
| TPSA: | 250.08 | 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 |
AD17300
Formula: C7H11O6N2ClS
Smiles:
COS(=O)(=O)NC(=O)OCCNC(=O)CCl| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 274.68 | Num_heavy_atoms: | 16 |
| TPSA: | 110.8 | NumAromaticRings: | 0 |
