Glycoside
GD019013
Name:
NoneFormula:
C16H20O6N5BrSmiles:
CC(C)C(=O)OC[C@@H]1O[C@H](n2cnc(N)c3c(C(N)=O)c(Br)nc2-3)[C@H](O)[C@H]1OAglycone:
COC(=O)C(C)C.NC(=O)C1=C(Br)N=C2[N]C=NC(N)=C21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.27 | Num_heavy_atoms: | 28 |
| TPSA: | 175.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13323
Formula: C7H5ON5Br
Smiles:
NC(=O)C1=C(Br)N=C2[N]C=NC(N)=C21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.06 | Num_heavy_atoms: | 14 |
| TPSA: | 107.93 | NumAromaticRings: | 0 |
