Glycoside
GD020734
Name:
NoneFormula:
C19H16O5N5BrSmiles:
N#Cc1c(Br)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COC(=O)c1ccccc1.N#CC1=C(Br)[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.27 | Num_heavy_atoms: | 30 |
| TPSA: | 156.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01982
Formula: C7H3N5Br
Smiles:
N#CC1=C(Br)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.04 | Num_heavy_atoms: | 13 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
