Glycoside
GD037147
Name:
NoneFormula:
C23H27O15N4P2Smiles:
CC(=O)N[C@@H]1[C@H](O)C=C([C@H](OP(=O)([O-])OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)P(=O)([O-])[O-])O[C@H]1Oc1ccccc1Aglycone:
COP(=O)([O-])OC(C1=CC(O)C(NC(C)=O)C(Oc2ccccc2)O1)P(=O)([O-])[O-].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 661.43 | Num_heavy_atoms: | 44 |
| TPSA: | 300.17 | 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 |
AD19760
Formula: C15H18O11NP2
Smiles:
COP(=O)([O-])OC(C1=CC(O)C(NC(C)=O)C(Oc2ccccc2)O1)P(=O)([O-])[O-]| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.25 | Num_heavy_atoms: | 29 |
| TPSA: | 189.57 | NumAromaticRings: | 1 |
