Glycoside

GD142773
Name:
8-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-5-carboxylic acidFormula:
C32H34O14Smiles:
COc1cc(C(=O)OCC2OC(Oc3ccc(C(=O)O)c4c3OCCC4)C(O)C(O)C2O)c(O)c(OCCc2ccccc2)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1O.O=C(O)c1ccc(O)c2c1CCCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.38 |
AlogP: | 1.79 | Num_rotatable_bonds: | 11 |
MolWt: | 642.61 | Num_heavy_atoms: | 46 |
TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD47588
Formula: C17H18O6
Smiles:
COC(=O)c1cc(OC)c(O)c(OCCc2ccccc2)c1OHBA: | 6 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.24 |
AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
MolWt: | 318.32 | Num_heavy_atoms: | 23 |
TPSA: | 85.22 | NumAromaticRings: | 2 |
AD57338
Formula: C10H10O4
Smiles:
O=C(O)c1ccc(O)c2c1CCCO2HBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.3 |
AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |