Glycoside

GD153219
Name:
PseudouridimycinFormula:
C17H26O9N8Smiles:
N=C(O)CCC(C(O)=NCC1OC(c2cnc(O)nc2O)C(O)C1O)N(O)C(=O)CNC(=N)NAglycone:
CN=C(O)C(CCC(=N)O)N(O)C(=O)CNC(=N)N.Oc1ccnc(O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 2 |
HBD: | 12 | FractionCSP3: | 0.53 |
AlogP: | -2.61 | Num_rotatable_bonds: | 10 |
MolWt: | 486.44 | Num_heavy_atoms: | 34 |
TPSA: | 295.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD50311
Formula: C4H4O2N2
Smiles:
Oc1ccnc(O)n1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.11 | Num_rotatable_bonds: | 0 |
MolWt: | 112.09 | Num_heavy_atoms: | 8 |
TPSA: | 66.24 | NumAromaticRings: | 1 |
AD60956
Formula: C9H18O4N6
Smiles:
CN=C(O)C(CCC(=N)O)N(O)C(=O)CNC(=N)NHBA: | 10 | RingCount: | 0 |
HBD: | 8 | FractionCSP3: | 0.56 |
AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
MolWt: | 274.28 | Num_heavy_atoms: | 19 |
TPSA: | 179.11 | NumAromaticRings: | 0 |