Glycoside
GD004215
Name:
NoneFormula:
C11H18O12N5P3SSmiles:
Cc1nc(N)c2ncn([C@@H]3O[C@H](CS)[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]3O)c2n1Aglycone:
Cc1nc(N)c2c(n1)[N]C=N2.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(CS)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.28 | Num_heavy_atoms: | 32 |
| TPSA: | 258.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
AD01302
Formula: C6H6N5
Smiles:
Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
