Glycoside
GD038438
Name:
s-adenosyl-1,8-diamino-3-thiooctaneFormula:
C18H29O3N7SSmiles:
NCC=C(CCCCCN)SC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CSC(=CCN)CCCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 423.54 | Num_heavy_atoms: | 29 |
| 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 |
AD24022
Formula: C9H20N2S
Smiles:
CSC(=CCN)CCCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 188.34 | Num_heavy_atoms: | 12 |
| TPSA: | 52.04 | NumAromaticRings: | 0 |
