Glycoside

GD149886
Name:
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2,3,4-trihydroxy-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}cyclohexyl)oxy]-4H-chromen-4-oneFormula:
C30H36O16Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2CC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2CC(CO)C(O)C(O)C2O)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 9 | FractionCSP3: | 0.5 |
AlogP: | -0.71 | Num_rotatable_bonds: | 8 |
MolWt: | 652.6 | Num_heavy_atoms: | 46 |
TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD59910
Formula: C24H26O12
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2CC(CO)C(O)C(O)C2O)cc(OC)c1OHBA: | 12 | RingCount: | 4 |
HBD: | 7 | FractionCSP3: | 0.38 |
AlogP: | 0.44 | Num_rotatable_bonds: | 6 |
MolWt: | 506.46 | Num_heavy_atoms: | 36 |
TPSA: | 199.51 | NumAromaticRings: | 3 |