Glycoside
GD132692
Name:
nikkoxin gFormula:
C21H25O12N5Smiles:
CC(C(N)C(O)=NC(C(=O)O)C1OC(n2cc(C(=O)O)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=C(O)c1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 539.45 | Num_heavy_atoms: | 38 |
| TPSA: | 291.37 | 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 |
AD52488
Formula: C5H4O4N2
Smiles:
O=C(O)c1c[nH]c(=O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 103.28 | NumAromaticRings: | 1 |
