Glycoside

GD117575
Name:
3-(3,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)-8-hydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl]prop-2-en-1-oneFormula:
C29H34O14Smiles:
CC1OC(OCC2OC3OCC(c4ccc(O)c(O)c4)OC3C(O)C2C(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)C1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.48 |
AlogP: | -0.21 | Num_rotatable_bonds: | 7 |
MolWt: | 606.58 | Num_heavy_atoms: | 43 |
TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD46894
Formula: C23H24O10
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)C1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1OHBA: | 10 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.35 |
AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
MolWt: | 460.44 | Num_heavy_atoms: | 33 |
TPSA: | 166.14 | NumAromaticRings: | 2 |