Glycoside
GD031051
Name:
NoneFormula:
C14H22O7N5PSSmiles:
CCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCCCSC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.4 | Num_heavy_atoms: | 28 |
| TPSA: | 186.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD06317
Formula: C9H12N5S
Smiles:
CCCCSC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 222.3 | Num_heavy_atoms: | 15 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
