Glycoside
GD117330
Name:
(6-{[2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 11-methyldodecanoateFormula:
C59H88O8Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC1OC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C.COC(=O)CCCCCCCCCC(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 13.46 | Num_rotatable_bonds: | 27 |
| MolWt: | 925.35 | Num_heavy_atoms: | 67 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD45042
Formula: C40H54O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 10.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 566.87 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46765
Formula: C14H28O2
Smiles:
COC(=O)CCCCCCCCCC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
