Glycoside
GD013762
Name:
NoneFormula:
C18H19O6N8ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4cc(C)on4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Cc1cc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.84 | Num_heavy_atoms: | 32 |
| TPSA: | 189.55 | 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 |
AD10219
Formula: C11H7O2N7Cl
Smiles:
Cc1cc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)no1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.67 | Num_heavy_atoms: | 20 |
| TPSA: | 119.4 | NumAromaticRings: | 2 |
