Glycoside
GD119904
Name:
Nikkoxin FFormula:
C21H27O11N5Smiles:
CC(C(N)C(O)=NC(C(=O)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1O)C(O)c1ccc(O)cn1Aglycone:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.47 | Num_heavy_atoms: | 37 |
| TPSA: | 274.3 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
