Glycoside
GD017213
Name:
NoneFormula:
C22H28O5N6SSmiles:
NC(CCSC[C@@H]1O[C@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 488.57 | Num_heavy_atoms: | 34 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD01394
Formula: C13H12N5
Smiles:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
