Glycoside
GD036547
Name:
NoneFormula:
C36H40O13N5F3Smiles:
CO[C@@H]1[C@H](O)[C@H]([C@H](O[C@@H]2OC(C(=O)NCc3ccc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)cc3)=C[C@H](O)[C@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=OAglycone:
NC(=O)COC1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=CC(O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 807.73 | Num_heavy_atoms: | 57 |
| TPSA: | 246.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21198
Formula: C27H30O8N3F3
Smiles:
NC(=O)COC1OC(C(=O)NCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=CC(O)C1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 581.54 | Num_heavy_atoms: | 41 |
| TPSA: | 152.81 | NumAromaticRings: | 2 |
