Glycoside
GD008014
Name:
NoneFormula:
C10H18O15N3P3Smiles:
Cc1cn([C@@H]2OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)c(=O)nc1NAglycone:
Cc1c[nH]c(=O)nc1N.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 513.18 | Num_heavy_atoms: | 31 |
| TPSA: | 290.65 | NumAromaticRings: | 1 |
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 |
AD01886
Formula: C5H7ON3
Smiles:
Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
