Glycoside
GD128718
Name:
NoneFormula:
C50H85O18N3Smiles:
CC(=O)OC(CCCCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(CCCC(O)=NC(C(=O)O)C(C)C)OC(C)=OAglycone:
CCCC(O)=NC(C(=O)O)C(C)C.CCCCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)OSugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 7.59 | Num_rotatable_bonds: | 41 |
| MolWt: | 1016.23 | Num_heavy_atoms: | 71 |
| TPSA: | 323.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51435
Formula: C9H17O3N
Smiles:
CCCC(O)=NC(C(=O)O)C(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
AD52138
Formula: C23H46O3N2
Smiles:
CCCCCCCCCCCCCCCCCC(O)=NC(CCCN)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 21 |
| MolWt: | 398.63 | Num_heavy_atoms: | 28 |
| TPSA: | 95.91 | NumAromaticRings: | 0 |
