Glycoside
GD137101
Name:
methyl 4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-(3-hydroxy-3-methylbutyl)-5-(3-methylbut-2-en-1-yl)benzoateFormula:
C29H44O13Smiles:
COC(=O)c1cc(CC=C(C)C)c(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(CCC(C)(C)O)c1Aglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CCC(C)(C)O)c1Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.66 | Num_heavy_atoms: | 42 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD55403
Formula: C18H26O4
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CCC(C)(C)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 306.4 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
