Glycoside
GD022951
Name:
NoneFormula:
C24H32O5N6SSmiles:
CSCC[C@H](N)C(=O)OC[C@@H]1O[C@H](CCn2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCn1cnc2c(NCc3ccccc3)ncnc21.COC(=O)C(N)CCSCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 516.62 | Num_heavy_atoms: | 36 |
| TPSA: | 157.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD04462
Formula: C14H15N5
Smiles:
CCn1cnc2c(NCc3ccccc3)ncnc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.31 | Num_heavy_atoms: | 19 |
| 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 |
