Glycoside
GD125953
Name:
methyl 4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-bis(3-methylbut-2-en-1-yl)benzoateFormula:
C30H44O13Smiles:
COC(=O)c1cc(CC=C(C)C)c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(CC=C(C)C)c1Aglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.67 | Num_heavy_atoms: | 43 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45207
Formula: C18H24O3
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
