Glycoside
GD024115
Name:
NoneFormula:
C18H22O3N6S2Smiles:
O[C@@H]1C(n2cnc3c(NC4CCCC4)ncnc32)O[C@@H](CSc2nccs2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.CSc1nccs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.55 | Num_heavy_atoms: | 29 |
| TPSA: | 118.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD14252
Formula: C4H5NS2
Smiles:
CSc1nccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.22 | Num_heavy_atoms: | 7 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
