Glycoside
GD018179
Name:
NoneFormula:
C30H30O6N8Smiles:
O=C(NC1CC1)[C@@H]1O[C@H](n2cnc3c(NCCc4cn(Cc5cccc([N+](=O)[O-])c5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
O=CNC1CC1.O=[N+]([O-])c1cccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.62 | Num_heavy_atoms: | 44 |
| TPSA: | 182.49 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12873
Formula: C22H18O2N7
Smiles:
O=[N+]([O-])c1cccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.43 | Num_heavy_atoms: | 31 |
| TPSA: | 112.34 | NumAromaticRings: | 4 |
