Glycoside

GD125721
Name:
{3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C23H30O11Smiles:
O=C1CCC(O)(CCOC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)CC1Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C1CCC(O)(CCO)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.57 |
AlogP: | -0.26 | Num_rotatable_bonds: | 8 |
MolWt: | 482.48 | Num_heavy_atoms: | 34 |
TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |
AD20243
Formula: C8H14O3
Smiles:
O=C1CCC(O)(CCO)CC1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
MolWt: | 158.2 | Num_heavy_atoms: | 11 |
TPSA: | 57.53 | NumAromaticRings: | 0 |