Glycoside
GD017187
Name:
NoneFormula:
C22H23O7N5Smiles:
CC(=O)Nc1nc(OCc2ccccc2)c2ncn(C3CC(OC(C)=O)C(OC(C)=O)O3)c2n1Aglycone:
CC(=O)Nc1nc2c(c(OCc3ccccc3)n1)N=C[N]2Sugarmoiety:
CC(=O)OC1CC(O)OC1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.45 | Num_heavy_atoms: | 34 |
| TPSA: | 143.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD12137
Formula: C14H12O2N5
Smiles:
CC(=O)Nc1nc2c(c(OCc3ccccc3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.28 | Num_heavy_atoms: | 21 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
