Glycoside

GD143685
Name:
{3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C30H28O15Smiles:
COc1ccc(-c2oc3cc(C4OC(COC(=O)c5cc(O)c(O)c(O)c5)C(O)C(O)C4O)cc(O)c3c(=O)c2OC)cc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(-c2oc3cccc(O)c3c(=O)c2OC)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.27 |
AlogP: | 1.38 | Num_rotatable_bonds: | 7 |
MolWt: | 628.54 | Num_heavy_atoms: | 45 |
TPSA: | 246.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1HBA: | 5 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.12 |
AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
MolWt: | 184.15 | Num_heavy_atoms: | 13 |
TPSA: | 86.99 | NumAromaticRings: | 1 |
AD57775
Formula: C17H14O6
Smiles:
COc1ccc(-c2oc3cccc(O)c3c(=O)c2OC)cc1OHBA: | 6 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.12 |
AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
MolWt: | 314.29 | Num_heavy_atoms: | 23 |
TPSA: | 89.13 | NumAromaticRings: | 3 |