Glycoside
GD130019
Name:
Apicularen BFormula:
C33H44O11N2Smiles:
CCC=CC=CC(O)=NC=CCC1CC2CC(OC3OC(CO)C(O)C(O)C3N=C(C)O)CC(Cc3cccc(O)c3C(=O)O1)O2Aglycone:
CCC=CC=CC(O)=NC=CCC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 644.72 | Num_heavy_atoms: | 46 |
| TPSA: | 200.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD52679
Formula: C25H31O6N
Smiles:
CCC=CC=CC(O)=NC=CCC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.52 | Num_heavy_atoms: | 32 |
| TPSA: | 108.58 | NumAromaticRings: | 1 |
