Glycoside
GD097002
Name:
NoneFormula:
C20H24O6N6SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4ccc(C)c(C)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Cc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.52 | 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 |
AD39230
Formula: C13H12O2N5S
Smiles:
Cc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.34 | Num_heavy_atoms: | 21 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
