Glycoside
GD099300
Name:
NoneFormula:
C18H24O6N6SSmiles:
C=CCC1(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)CC1Aglycone:
C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C[N]3)CC1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.49 | Num_heavy_atoms: | 31 |
| 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 |
AD38093
Formula: C11H12O2N5S
Smiles:
C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.32 | Num_heavy_atoms: | 19 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
