Glycoside
GD140999
Name:
3-(butan-2-yl)-5,7',9'-trihydroxy-15'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-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:
C49H78O13Smiles:
CCC(C)C1CC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)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(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 875.15 | Num_heavy_atoms: | 62 |
| TPSA: | 171.83 | 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 |
