Glycoside
GD152142
Name:
5-hydroxy-14-methoxy-4-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)-13-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-oneFormula:
C32H36O11Smiles:
COc1cc2oc3c4cc(CC=C(C)COC5OC(CO)C(O)C(O)C5O)c(O)cc4oc(=O)c3c2cc1CC=C(C)CAglycone:
COc1cc2oc3c4cc(CC=C(C)CO)c(O)cc4oc(=O)c3c2cc1CC=C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.63 | Num_heavy_atoms: | 43 |
| TPSA: | 172.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD60604
Formula: C26H26O6
Smiles:
COc1cc2oc3c4cc(CC=C(C)CO)c(O)cc4oc(=O)c3c2cc1CC=C(C)C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.49 | Num_heavy_atoms: | 32 |
| TPSA: | 93.04 | NumAromaticRings: | 4 |
