Glycoside
GD000273
Name:
NoneFormula:
C17H27O3N5SSmiles:
CCCCCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CCCCCCCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 381.5 | Num_heavy_atoms: | 26 |
| TPSA: | 119.31 | 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 |
AD00318
Formula: C8H18S
Smiles:
CCCCCCCSC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 146.3 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
