Glycoside
GD134247
Name:
6-(butan-2-yl)-4,9'-dihydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-5',10',12',16'-tetraene-3',7'-dioneFormula:
C41H62O11Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(O)C(C)O4)C(C)C=CC=C(C)C4(O)CC(=O)C(C)=CC4C(=O)O3)O2)CC(O)C1CAglycone:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C(C)C4(O)CC(=O)C(C)=CC4C(=O)O3)O2)CC(O)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 730.94 | Num_heavy_atoms: | 52 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD54314
Formula: C34H50O8
Smiles:
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C(C)C4(O)CC(=O)C(C)=CC4C(=O)O3)O2)CC(O)C1C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.77 | Num_heavy_atoms: | 42 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
