Glycoside
GD141993
Name:
6-hydroxy-2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-oneFormula:
C46H64O8Smiles:
CC(C=CC=C(C)C=CC1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 745.01 | Num_heavy_atoms: | 54 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53918
Formula: C40H54O3
Smiles:
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 9.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.87 | Num_heavy_atoms: | 43 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
