Glycoside

GD128914
Name:
3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyphenoxy)oxan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C21H22O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(Oc2cc(O)c(O)c(O)c2)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.Oc1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.29 |
AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
MolWt: | 466.4 | Num_heavy_atoms: | 33 |
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 |
AD19644
Formula: C6H6O4
Smiles:
Oc1cc(O)c(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
MolWt: | 142.11 | Num_heavy_atoms: | 10 |
TPSA: | 80.92 | NumAromaticRings: | 1 |