Glycoside

GD133563
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H28O13Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.23 |
AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
MolWt: | 596.54 | Num_heavy_atoms: | 43 |
TPSA: | 215.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.1 |
AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
MolWt: | 178.19 | Num_heavy_atoms: | 13 |
TPSA: | 46.53 | NumAromaticRings: | 1 |
AD17890
Formula: C15H12O6
Smiles:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1HBA: | 6 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.07 |
AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
MolWt: | 288.26 | Num_heavy_atoms: | 21 |
TPSA: | 110.38 | NumAromaticRings: | 2 |