Glycoside
GD001942
Name:
NoneFormula:
C34H41O7N4FCl2Smiles:
O=C(CCc1cc(Cl)c(CN2C[C@H](F)C[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CNC(=O)CCc1cc(Cl)c(CN2CC(F)CC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 683.61 | Num_heavy_atoms: | 46 |
| TPSA: | 157.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD01891
Formula: C29H31O2N4FCl2
Smiles:
CNC(=O)CCc1cc(Cl)c(CN2CC(F)CC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.48 | Num_heavy_atoms: | 36 |
| TPSA: | 55.89 | NumAromaticRings: | 2 |
