Glycoside
GD139066
Name:
4-[5-hydroxy-14-methoxy-4-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)-9-oxo-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-13-yl]-2-methylbut-2-enalFormula:
C32H34O12Smiles:
COc1cc2oc3c4cc(CC=C(C)COC5OC(CO)C(O)C(O)C5O)c(O)cc4oc(=O)c3c2cc1CC=C(C)C=OAglycone:
COc1cc2oc3c4cc(CC=C(C)CO)c(O)cc4oc(=O)c3c2cc1CC=C(C)C=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 610.61 | Num_heavy_atoms: | 44 |
| TPSA: | 189.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD56085
Formula: C26H24O7
Smiles:
COc1cc2oc3c4cc(CC=C(C)CO)c(O)cc4oc(=O)c3c2cc1CC=C(C)C=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.47 | Num_heavy_atoms: | 33 |
| TPSA: | 110.11 | NumAromaticRings: | 4 |
