Glycoside
GD019283
Name:
NoneFormula:
C18H21O12N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(CNC(=O)c3ccccc3)P(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)([O-])OC(CNC(=O)c1ccccc1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 547.33 | Num_heavy_atoms: | 36 |
| TPSA: | 261.48 | NumAromaticRings: | 2 |
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 |
AD13483
Formula: C10H12O8NP2
Smiles:
COP(=O)([O-])OC(CNC(=O)c1ccccc1)P(=O)([O-])[O-]| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.15 | Num_heavy_atoms: | 21 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
