Glycoside

GD123765
Name:
2-(3,4-dihydroxyphenyl)-6-methoxy-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H36O15Smiles:
COc1cc(C=CC(=O)OC2C(OC)OC3OCC(c4ccc(O)c(O)c4)OC3C2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C(OC)OC3OCC(c4ccc(O)c(O)c4)OC3C2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.5 |
AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
MolWt: | 636.6 | Num_heavy_atoms: | 45 |
TPSA: | 212.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD49965
Formula: C24H26O11
Smiles:
COc1cc(C=CC(=O)OC2C(OC)OC3OCC(c4ccc(O)c(O)c4)OC3C2O)ccc1OHBA: | 11 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.38 |
AlogP: | 1.58 | Num_rotatable_bonds: | 6 |
MolWt: | 490.46 | Num_heavy_atoms: | 35 |
TPSA: | 153.37 | NumAromaticRings: | 2 |