Glycoside
GD022661
Name:
NoneFormula:
C23H24O4NBrSmiles:
O[C@@H]1[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Br)cccc32)OC[C@@H](O)[C@H]1OAglycone:
Brc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.35 | Num_heavy_atoms: | 29 |
| TPSA: | 74.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD15337
Formula: C18H16NBr
Smiles:
Brc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.24 | Num_heavy_atoms: | 20 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
