Glycoside
GD082273
Name:
NoneFormula:
C15H21O7N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Br)cn(C)c2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1cc(Br)cc(C(=O)NCCO)c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.24 | Num_heavy_atoms: | 25 |
| TPSA: | 130.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36949
Formula: C9H11O3N2Br
Smiles:
Cn1cc(Br)cc(C(=O)NCCO)c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.1 | Num_heavy_atoms: | 15 |
| TPSA: | 71.33 | NumAromaticRings: | 1 |
