Glycoside
GD082019
Name:
NoneFormula:
C14H20O7N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)COc2ncc(Br)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(COc1ncc(Br)cn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.23 | Num_heavy_atoms: | 25 |
| TPSA: | 143.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD36829
Formula: C8H10O3N3Br
Smiles:
O=C(COc1ncc(Br)cn1)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.09 | Num_heavy_atoms: | 15 |
| TPSA: | 84.34 | NumAromaticRings: | 1 |
