Glycoside
GD122112
Name:
3-(butan-2-yl)-5,7',9'-trihydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[cyclohexane-1,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-5',10',12',16'-tetraen-3'-oneFormula:
C42H66O10Smiles:
CCC(C)C1CC2(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)C1CC2(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: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 730.98 | Num_heavy_atoms: | 52 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49189
Formula: C35H54O7
Smiles:
CCC(C)C1CC2(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: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
