Glycoside
GD071963
Name:
NoneFormula:
C13H18O6N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(C)(=O)=O)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CS(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.39 | Num_heavy_atoms: | 26 |
| TPSA: | 168.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD27467
Formula: C6H6O2N5S
Smiles:
CS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.21 | Num_heavy_atoms: | 14 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
