Glycoside
GD006950
Name:
NoneFormula:
C40H41O9N6BrSmiles:
Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(C=CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc21Aglycone:
Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(C=CC(=O)O)cc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 829.71 | Num_heavy_atoms: | 56 |
| TPSA: | 211.15 | NumAromaticRings: | 5 |
Unique Aglycone
AD05694
Formula: C34H33O3N6Br
Smiles:
Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(C=CC(=O)O)cc21| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 653.58 | Num_heavy_atoms: | 44 |
| TPSA: | 114.93 | NumAromaticRings: | 5 |
