Glycoside
GD090636
Name:
NoneFormula:
C14H18O6N3SBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cn3cc(Br)sc3n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cn2cc(Br)sc2n1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.28 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD39438
Formula: C8H8O2N3SBr
Smiles:
O=C(NCCO)c1cn2cc(Br)sc2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.14 | Num_heavy_atoms: | 15 |
| TPSA: | 66.63 | NumAromaticRings: | 2 |
