Glycoside

GD138515
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.46 |
AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
MolWt: | 608.55 | Num_heavy_atoms: | 43 |
TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00146
Formula: C17H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1HBA: | 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 |