Glycoside

GD130826
Name:
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 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C29H34O15Smiles:
CC1OC(OCC2OC3OCC(c4ccc(O)c(O)c4)OC3C(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.48 |
AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
MolWt: | 622.58 | Num_heavy_atoms: | 44 |
TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03256
Formula: C23H24O11
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC2OCC(c3ccc(O)c(O)c3)OC2C1OHBA: | 11 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.35 |
AlogP: | 0.67 | Num_rotatable_bonds: | 5 |
MolWt: | 476.43 | Num_heavy_atoms: | 34 |
TPSA: | 175.37 | NumAromaticRings: | 2 |