Glycoside
GD130335
Name:
14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acidFormula:
C32H52O13Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 644.76 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD49091
Formula: C20H32O3
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
