Glycoside
GD025894
Name:
NoneFormula:
C17H17O7N3S2Smiles:
O=c1ccn([C@@H]2O[C@H](CNS(=O)(=O)c3cc4ccccc4s3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNS(=O)(=O)c1cc2ccccc2s1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.47 | Num_heavy_atoms: | 29 |
| TPSA: | 150.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07114
Formula: C9H9O2NS2
Smiles:
CNS(=O)(=O)c1cc2ccccc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.31 | Num_heavy_atoms: | 14 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
