Glycoside
GD033704
Name:
NoneFormula:
C22H20O4NBrSmiles:
CC1(C)c2cc(OC3COC[C@H]3O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21Aglycone:
CC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21Sugarmoiety:
OC1COCC1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.31 | Num_heavy_atoms: | 28 |
| TPSA: | 71.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD21494
Formula: C18H14O2NBr
Smiles:
CC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 356.22 | Num_heavy_atoms: | 22 |
| TPSA: | 53.09 | NumAromaticRings: | 3 |
