Glycoside
GD007804
Name:
NoneFormula:
C14H20O13N5P3SSmiles:
CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]1OAglycone:
CCCCSC1=Nc2c(N)ncnc2[N]1.COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 591.33 | Num_heavy_atoms: | 36 |
| TPSA: | 290.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01781
Formula: CH3O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.95 | Num_heavy_atoms: | 14 |
| TPSA: | 171.14 | 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 |
