Glycoside
GD037247
Name:
NoneFormula:
C19H21O5N7S2Smiles:
NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(NCc4csc5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2csc3ccccc23)[N]1.CNS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.56 | Num_heavy_atoms: | 33 |
| TPSA: | 177.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD23477
Formula: C14H10N5S
Smiles:
C1=Nc2c(ncnc2NCc2csc3ccccc23)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.34 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
