Glycoside

GD122461
Name:
6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C23H26O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC(OCC(O)c2ccc(O)c(O)c2)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC(O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.35 |
AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
MolWt: | 494.45 | Num_heavy_atoms: | 35 |
TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
MolWt: | 180.16 | Num_heavy_atoms: | 13 |
TPSA: | 77.76 | NumAromaticRings: | 1 |
AD44929
Formula: C8H10O4
Smiles:
OCC(O)c1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.25 |
AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
MolWt: | 170.16 | Num_heavy_atoms: | 12 |
TPSA: | 80.92 | NumAromaticRings: | 1 |