Glycoside

GD131615
Name:
3-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C21H20O10Smiles:
CC1OC(Oc2cc(O)cc3occ(-c4ccc(O)c(O)c4)c(=O)c23)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.29 |
AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
MolWt: | 432.38 | Num_heavy_atoms: | 31 |
TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD16357
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(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 |