Glycoside
GD139130
Name:
Nikkoxin EFormula:
C21H27O10N5Smiles:
Cc1cn(C2OC(C(N=C(O)C(N)C(C)C(O)c3ccc(O)cn3)C(=O)O)C(O)C2O)c(=O)nc1OAglycone:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1.Cc1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 509.47 | Num_heavy_atoms: | 36 |
| TPSA: | 254.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD45908
Formula: C12H17O5N3
Smiles:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 149.26 | NumAromaticRings: | 1 |
