Glycoside
GD003597
Name:
Epicoccamide BFormula:
C31H53O10NSmiles:
CC(=O)O[C@@H]1[C@H](O)[C@H](OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)O[C@H](CO)[C@H]1OAglycone:
CC(CCCCCCCCCCCCCCO)C(=O)C1=C(O)N(C)C(C)C1=OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 20 |
| MolWt: | 599.76 | Num_heavy_atoms: | 42 |
| TPSA: | 163.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD01063
Formula: C23H41O4N
Smiles:
CC(CCCCCCCCCCCCCCO)C(=O)C1=C(O)N(C)C(C)C1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 16 |
| MolWt: | 395.58 | Num_heavy_atoms: | 28 |
| TPSA: | 77.84 | NumAromaticRings: | 0 |
