Glycoside
GD008211
Name:
NoneFormula:
C17H24O5N6SSmiles:
N[C@H](CCSC[C@@H]1O[C@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@H]1O)C(=O)OAglycone:
C1=Nc2c(ncnc2NC2CC2)[N]1.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD01818
Formula: C8H8N5
Smiles:
C1=Nc2c(ncnc2NC2CC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
