Glycoside
GD119166
Name:
6-cyclohexyl-4,9'-dihydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7'-methoxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-5',10',12',16'-tetraen-3'-oneFormula:
C44H68O11Smiles:
COC1CC2(O)C(C)=CC=CC(C)C(OC3CC(OC)C(O)C(C)O3)C(C)=CCC3CC(CC4(CC(O)C(C)C(C5CCCCC5)O4)O3)OC(=O)C2C=C1CAglycone:
COC1CC2(O)C(C)=CC=CC(C)C(O)C(C)=CCC3CC(CC4(CC(O)C(C)C(C5CCCCC5)O4)O3)OC(=O)C2C=C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 773.02 | Num_heavy_atoms: | 55 |
| TPSA: | 142.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47701
Formula: C37H56O8
Smiles:
COC1CC2(O)C(C)=CC=CC(C)C(O)C(C)=CCC3CC(CC4(CC(O)C(C)C(C5CCCCC5)O4)O3)OC(=O)C2C=C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 628.85 | Num_heavy_atoms: | 45 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
