Glycoside
GD028314
Name:
NoneFormula:
C35H40O9N7FSSmiles:
O=C(Cn1cc(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(Cn1cc(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 753.81 | Num_heavy_atoms: | 53 |
| TPSA: | 215.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD18519
Formula: C29H30O4N7FS
Smiles:
O=C(Cn1cc(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.34 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 591.67 | Num_heavy_atoms: | 42 |
| TPSA: | 125.59 | NumAromaticRings: | 4 |
