Glycoside
GD020878
Name:
NoneFormula:
C14H23O10N5P2SSmiles:
CCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.38 | Num_heavy_atoms: | 32 |
| TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD03795
Formula: C9H12N5S
Smiles:
CCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.3 | Num_heavy_atoms: | 15 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
