Glycoside
GD005971
Name:
NoneFormula:
C14H13O5N6ClSmiles:
CONc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2ccon2)[C@H](O)[C@H]1OAglycone:
CONc1nc(Cl)nc2c1N=C[N]2.c1cnoc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.74 | Num_heavy_atoms: | 25 |
| TPSA: | 140.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD04101
Formula: C3H3ON
Smiles:
c1cnoc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 69.06 | Num_heavy_atoms: | 5 |
| TPSA: | 26.03 | NumAromaticRings: | 1 |
AD04988
Formula: C7H5ON5Cl
Smiles:
CONc1nc(Cl)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.59 | Num_heavy_atoms: | 13 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
