Glycoside
GD118923
Name:
16-hydroxy-10,13-dimethoxy-3-methyl-5-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1,3,4,8,14,15-hexahydro-2,9-dioxahexaphene-1,8,14,15-tetroneFormula:
C36H34O14Smiles:
COc1ccc(OC)c2c(=O)c3c(oc12)C(=O)c1ccc2c(OC4OC(C)C(OC)C(OC)C4OC)c4c(c(O)c2c1C3=O)C(=O)OC(C)C4Aglycone:
COc1ccc(OC)c2c(=O)c3c(oc12)C(=O)c1ccc2c(O)c4c(c(O)c2c1C3=O)C(=O)OC(C)C4Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 690.65 | Num_heavy_atoms: | 50 |
| TPSA: | 175.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD47591
Formula: C27H18O10
Smiles:
COc1ccc(OC)c2c(=O)c3c(oc12)C(=O)c1ccc2c(O)c4c(c(O)c2c1C3=O)C(=O)OC(C)C4| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.43 | Num_heavy_atoms: | 37 |
| TPSA: | 149.57 | NumAromaticRings: | 4 |
