Glycoside
GD103417
Name:
NoneFormula:
C20H31O7NBrSmiles:
COCO[C@]1(c2ccc(Br)cc2)CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
COCOC1(c2ccc(Br)cc2)CCC([NH3+])CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.37 | Num_heavy_atoms: | 29 |
| TPSA: | 125.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD43775
Formula: C14H21O2NBr
Smiles:
COCOC1(c2ccc(Br)cc2)CCC([NH3+])CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.23 | Num_heavy_atoms: | 18 |
| TPSA: | 46.1 | NumAromaticRings: | 1 |
