Glycoside
GD005782
Name:
NoneFormula:
C23H31O5N7SSmiles:
CSCC[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](Cn2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)N(C)O.Cn1cnc2c(NCc3ccccc3)ncnc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 517.61 | Num_heavy_atoms: | 36 |
| TPSA: | 171.88 | NumAromaticRings: | 3 |
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 |
AD04860
Formula: C13H13N5
Smiles:
Cn1cnc2c(NCc3ccccc3)ncnc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 239.28 | Num_heavy_atoms: | 18 |
| TPSA: | 55.63 | NumAromaticRings: | 3 |
