Glycoside
GD025331
Name:
1,2-DehydrovirgineoneFormula:
C40H61O12NSmiles:
CC(CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O)C(Cc2ccc(O)cc2)=NC1=OAglycone:
CC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO)C(=O)C1=C(O)C(Cc2ccc(O)cc2)=NC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 27 |
| MolWt: | 747.92 | Num_heavy_atoms: | 53 |
| TPSA: | 223.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD16810
Formula: C34H51O7N
Smiles:
CC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO)C(=O)C1=C(O)C(Cc2ccc(O)cc2)=NC1=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 24 |
| MolWt: | 585.78 | Num_heavy_atoms: | 42 |
| TPSA: | 144.49 | NumAromaticRings: | 1 |
