Glycoside
GD004454
Name:
NoneFormula:
C17H30O3N7SSmiles:
C[S+](C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(CCN)CCCNAglycone:
C[S+](C)C(CCN)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.54 | Num_heavy_atoms: | 28 |
| TPSA: | 171.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03891
Formula: C8H21N2S
Smiles:
C[S+](C)C(CCN)CCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 177.34 | Num_heavy_atoms: | 11 |
| TPSA: | 52.04 | NumAromaticRings: | 0 |
