Glycoside
GD033243
Name:
NoneFormula:
C11H17O14N4P3Smiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)n1ccc(N)nc1=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC1(O)C(O)C(O)OC1(O)C#NOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.19 | Num_heavy_atoms: | 32 |
| TPSA: | 294.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | 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 |
