Glycoside
GD011876
Name:
NoneFormula:
C40H57O10N4F3S2Smiles:
N[C@H](CC(=O)NC1(c2nc3ccc(OCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc3s2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1FAglycone:
CNC(=O)CCCCCCCCCCCOc1ccc2nc(C3(NC(=O)CC(N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 25 |
| MolWt: | 875.04 | Num_heavy_atoms: | 59 |
| TPSA: | 241.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD09011
Formula: C35H47O5N4F3S2
Smiles:
CNC(=O)CCCCCCCCCCCOc1ccc2nc(C3(NC(=O)CC(N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 19 |
| MolWt: | 724.91 | Num_heavy_atoms: | 49 |
| TPSA: | 140.48 | NumAromaticRings: | 3 |
