Glycoside
GD106040
Name:
NoneFormula:
C19H24O12N4Smiles:
CC(=O)Nn1c(=O)c([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)nn(C(C)=O)c1=OAglycone:
CC(=O)Nn1c(=O)cnn(C(C)=O)c1=OSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.42 | Num_heavy_atoms: | 35 |
| TPSA: | 208.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD44100
Formula: C7H8O4N4
Smiles:
CC(=O)Nn1c(=O)cnn(C(C)=O)c1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.16 | Num_heavy_atoms: | 15 |
| TPSA: | 103.06 | NumAromaticRings: | 1 |
