Glycoside
GD032982
Name:
NoneFormula:
C33H40O9N7FS2Smiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(CCn3cc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)nn3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(CCn2cc(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 761.86 | Num_heavy_atoms: | 52 |
| TPSA: | 212.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD21085
Formula: C27H30O5N7FS2
Smiles:
CNS(=O)(=O)c1ccc(CCn2cc(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)s1| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 615.71 | Num_heavy_atoms: | 42 |
| TPSA: | 142.66 | NumAromaticRings: | 4 |
