Glycoside
GD001823
Name:
NoneFormula:
C17H28O13N5P3SSmiles:
C=CCCCCSc1nc(NC)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
C=CCCCCSc1nc2c(c(NC)n1)N=C[N]2.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 635.42 | Num_heavy_atoms: | 39 |
| TPSA: | 265.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00341
Formula: C12H16N5S
Smiles:
C=CCCCCSc1nc2c(c(NC)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 262.36 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
