Glycoside

GD157603
Name:
4-hydroxy-2-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H36O14Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(OCC=Cc2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OCC=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.43 |
AlogP: | -0.98 | Num_rotatable_bonds: | 11 |
MolWt: | 620.6 | Num_heavy_atoms: | 44 |
TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
MolWt: | 164.16 | Num_heavy_atoms: | 12 |
TPSA: | 57.53 | NumAromaticRings: | 1 |
AD16632
Formula: C9H10O2
Smiles:
OCC=Cc1ccc(O)cc1HBA: | 2 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.11 |
AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
MolWt: | 150.18 | Num_heavy_atoms: | 11 |
TPSA: | 40.46 | NumAromaticRings: | 1 |