Glycoside
GD031083
Name:
NoneFormula:
C17H25O13N4P2Smiles:
CC(=O)N[C@@H]1C[C@H](C(OP(=O)([O-])OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)P(=O)([O-])[O-])C[C@H]1OAglycone:
COP(=O)([O-])OC(C1CC(O)C(NC(C)=O)C1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -4.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.35 | Num_heavy_atoms: | 36 |
| TPSA: | 281.71 | 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 |
AD20056
Formula: C9H16O9NP2
Smiles:
COP(=O)([O-])OC(C1CC(O)C(NC(C)=O)C1)P(=O)([O-])[O-]| HBA: | 10 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.17 | Num_heavy_atoms: | 21 |
| TPSA: | 171.11 | NumAromaticRings: | 0 |
