Glycoside
GD011850
Name:
ABX-196Formula:
C50H98O9N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.CNC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 9.85 | Num_rotatable_bonds: | 43 |
| MolWt: | 871.34 | Num_heavy_atoms: | 61 |
| TPSA: | 177.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD08994
Formula: C42H85O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 11.88 | Num_rotatable_bonds: | 39 |
| MolWt: | 668.14 | Num_heavy_atoms: | 47 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
