Glycoside
GD120694
Name:
Cmp-8-Amino-3,8-Dideoxy-Alpha-D-Manno-Oct-2-Ulosonic AcidFormula:
C17H27O14N4PSmiles:
N=c1ccn(C2OC(COP(=O)(O)OC3(C(=O)O)CC(O)C(O)C(C(O)CN)O3)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
NCC(O)C1OC(O)(C(=O)O)CC(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.39 | Num_heavy_atoms: | 36 |
| TPSA: | 300.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
