Glycoside
GD026799
Name:
NoneFormula:
C21H23O8N7SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)NC(=O)CCc3c[nH]c4ccccc34)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 533.52 | Num_heavy_atoms: | 37 |
| TPSA: | 227.54 | NumAromaticRings: | 4 |
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 |
AD08412
Formula: C12H14O4N2S
Smiles:
COS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.32 | Num_heavy_atoms: | 19 |
| TPSA: | 88.26 | NumAromaticRings: | 2 |
