Glycoside
GD029677
Name:
NoneFormula:
C23H30O5N6SSmiles:
CSCC[C@H](N)C(=O)OC[C@@H]1O[C@H](Cn2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)CCSC.Cn1cnc2c(NCc3ccccc3)ncnc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 502.6 | Num_heavy_atoms: | 35 |
| TPSA: | 157.64 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD06499
Formula: C6H13O2NS
Smiles:
COC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
