Glycoside

GD140440
Name:
(6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C30H26O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.2 |
AlogP: | 1.43 | Num_rotatable_bonds: | 7 |
MolWt: | 610.52 | Num_heavy_atoms: | 44 |
TPSA: | 236.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12HBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
MolWt: | 286.24 | Num_heavy_atoms: | 21 |
TPSA: | 111.13 | NumAromaticRings: | 3 |
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 |