Glycoside
GD018617
Name:
NoneFormula:
C16H25O5N7SSmiles:
CSCC[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)N(C)O.Cn1cnc2c(N)ncnc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.49 | Num_heavy_atoms: | 29 |
| TPSA: | 185.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD04463
Formula: C6H14O2N2S
Smiles:
CSCCC(N)C(=O)N(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 178.26 | Num_heavy_atoms: | 11 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
AD08255
Formula: C6H7N5
Smiles:
Cn1cnc2c(N)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.16 | Num_heavy_atoms: | 11 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
