Glycoside
GD090707
Name:
NoneFormula:
C16H21O6N4BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nn(C)c3ncc(Br)cc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1nc(C(=O)NCCO)c2cc(Br)cnc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.27 | Num_heavy_atoms: | 27 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD39480
Formula: C10H11O2N4Br
Smiles:
Cn1nc(C(=O)NCCO)c2cc(Br)cnc21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.13 | Num_heavy_atoms: | 17 |
| TPSA: | 80.04 | NumAromaticRings: | 2 |
