Glycoside
GD100889
Name:
NoneFormula:
C20H21O6N6ClSSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccc(Cl)c(C)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)ccc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.93 | Num_heavy_atoms: | 33 |
| TPSA: | 168.56 | NumAromaticRings: | 3 |
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 |
AD42625
Formula: C13H9O2N5ClS
Smiles:
Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)ccc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.76 | Num_heavy_atoms: | 21 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
