Glycoside
GD141267
Name:
Nikkoxin CFormula:
C21H30O15N6Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NC(C(O)=NC(CCC(=O)O)C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1OAglycone:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(O)=NC(CCC(=O)O)C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -4.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 606.5 | Num_heavy_atoms: | 42 |
| TPSA: | 364.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD56206
Formula: C13H22O10N4
Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(O)=NC(CCC(=O)O)C(=O)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 394.34 | Num_heavy_atoms: | 27 |
| TPSA: | 259.57 | NumAromaticRings: | 0 |
