Glycoside

GD143130
Name:
methyl 3-hydroxy-5-{3-hydroxy-1-[(2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl)oxy]-1-oxopropan-2-yl}-2-methylcyclopent-1-ene-1-carboxylateFormula:
C26H36O14Smiles:
COC(=O)C1=C(C)C(O)CC1C(CO)C(=O)OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(C)OC12Aglycone:
COC(=O)C1=C(C)C(O)CC1C(CO)C(=O)OC1C2C=COC(O)C2C2(C)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.77 |
AlogP: | -2.53 | Num_rotatable_bonds: | 8 |
MolWt: | 572.56 | Num_heavy_atoms: | 40 |
TPSA: | 214.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD57577
Formula: C20H26O9
Smiles:
COC(=O)C1=C(C)C(O)CC1C(CO)C(=O)OC1C2C=COC(O)C2C2(C)OC12HBA: | 9 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.7 |
AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
MolWt: | 410.42 | Num_heavy_atoms: | 29 |
TPSA: | 135.05 | NumAromaticRings: | 0 |