Glycoside
GD026931
Name:
NoneFormula:
C10H12O9N3PSmiles:
N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.N#Cc1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.19 | Num_heavy_atoms: | 23 |
| TPSA: | 195.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD05744
Formula: C5H3O2N3
Smiles:
N#Cc1cc(=O)[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.1 | Num_heavy_atoms: | 10 |
| TPSA: | 89.51 | NumAromaticRings: | 1 |
