Glycoside
GD084962
Name:
NoneFormula:
C19H24O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C[NH3+])cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.[NH3+]Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.45 | Num_heavy_atoms: | 30 |
| TPSA: | 162.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD36195
Formula: C12H12N6
Smiles:
[NH3+]Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.27 | Num_heavy_atoms: | 18 |
| TPSA: | 91.91 | NumAromaticRings: | 2 |
