Glycoside
GD004743
Name:
NoneFormula:
C21H19O5N6ClSmiles:
COc1cccc(CNc2nc(Cl)nc3c2ncn3C2O[C@H](c3ccon3)[C@H](O)[C@H]2O)c1Aglycone:
COc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1.c1cnoc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.86 | Num_heavy_atoms: | 32 |
| TPSA: | 140.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD04100
Formula: C14H11ON5Cl
Smiles:
COc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.72 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
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 |
