Glycoside
GD152926
Name:
21-hydroxy-1-{4-hydroxy-5-[(4-hydroxyphenyl)methyl]-2-oxo-2,5-dihydro-1H-pyrrol-3-yl}-2-methyl-22-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosane-1,11-dioneFormula:
C40H63O12NSmiles:
CC(CCCCCCCCC(=O)CCCCCCCCCC(O)COC1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O)C(Cc2ccc(O)cc2)N=C1OAglycone:
CC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO)C(=O)C1=C(O)C(Cc2ccc(O)cc2)N=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 27 |
| MolWt: | 749.94 | Num_heavy_atoms: | 53 |
| TPSA: | 226.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD60847
Formula: C34H53O7N
Smiles:
CC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO)C(=O)C1=C(O)C(Cc2ccc(O)cc2)N=C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 24 |
| MolWt: | 587.8 | Num_heavy_atoms: | 42 |
| TPSA: | 147.65 | NumAromaticRings: | 1 |
