Glycoside
GD013075
Name:
NoneFormula:
C31H54O17N2Smiles:
CCOCCOCCOCCOCCCCOCC1OC(CC(=O)N(C(C)C(=O)NCC(=O)OC)C(CCC(=O)O)C(=O)O)C(O)C(O)C1OAglycone:
CCOCCOCCOCCOCCCCOC.COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 28 |
| MolWt: | 726.77 | Num_heavy_atoms: | 50 |
| TPSA: | 266.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD07575
Formula: C13H20O8N2
Smiles:
COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 150.31 | NumAromaticRings: | 0 |
AD09809
Formula: C13H28O5
Smiles:
CCOCCOCCOCCOCCCCOC| HBA: | 5 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 15 |
| MolWt: | 264.36 | Num_heavy_atoms: | 18 |
| TPSA: | 46.15 | NumAromaticRings: | 0 |
