Glycoside
GD072999
Name:
NoneFormula:
C13H18O6N3BrSmiles:
O=C(C(=O)N1CC[C@@H](n2cc(Br)cn2)C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1cnn(C2CCNC2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.21 | Num_heavy_atoms: | 23 |
| TPSA: | 136.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD33935
Formula: C7H10N3Br
Smiles:
Brc1cnn(C2CCNC2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.08 | Num_heavy_atoms: | 11 |
| TPSA: | 29.85 | NumAromaticRings: | 1 |
