Glycoside

GD127039
Name:
7-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C27H30O15Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C4O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.44 |
AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
MolWt: | 594.52 | Num_heavy_atoms: | 42 |
TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD03755
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OHBA: | 6 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.06 |
AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
MolWt: | 300.27 | Num_heavy_atoms: | 22 |
TPSA: | 100.13 | NumAromaticRings: | 3 |