Glycoside
GD147997
Name:
2-{[3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C46H62O7Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 8.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 726.99 | Num_heavy_atoms: | 53 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD59243
Formula: C40H52O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 10.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 564.85 | Num_heavy_atoms: | 42 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
