Glycoside
GD143628
Name:
6-(butan-2-yl)-7',9'-dihydroxy-15'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,6',10',14',16'-pentamethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-5',10',12',16'-tetraen-3'-oneFormula:
C48H74O13Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C(C)C3(O)CC(O)C(C)=CC3C(=O)O1)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C(C)C3(O)CC(O)C(C)=CC3C(=O)O1)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 859.11 | Num_heavy_atoms: | 61 |
| TPSA: | 160.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD49258
Formula: C34H50O7
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C(C)C3(O)CC(O)C(C)=CC3C(=O)O1)O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
