Glycoside

GD134689
Name:
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C36H30O15Smiles:
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.22 |
AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
MolWt: | 702.62 | Num_heavy_atoms: | 51 |
TPSA: | 257.04 | NumAromaticRings: | 5 |
Unique Aglycone
AD54480
Formula: C30H20O10
Smiles:
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)Oc2cc(O)cc(O)c21HBA: | 10 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.07 |
AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
MolWt: | 540.48 | Num_heavy_atoms: | 40 |
TPSA: | 177.89 | NumAromaticRings: | 5 |