Glycoside
GD031765
Name:
NoneFormula:
C22H23O8N5S2Smiles:
Nc1nc2c([C@@H]3O[C@H](COS(=O)(=O)NC(=O)CCc4c[nH]c5ccccc45)[C@H](O)[C@H]3O)scc2c(=O)[nH]1Aglycone:
COS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12.Nc1nc2cscc2c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.59 | Num_heavy_atoms: | 37 |
| TPSA: | 209.72 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD20446
Formula: C6H5ON3S
Smiles:
Nc1nc2cscc2c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.19 | Num_heavy_atoms: | 11 |
| TPSA: | 71.77 | NumAromaticRings: | 2 |
