Glycoside

GD146044
Name:
4,5-dihydroxy-2-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(methoxycarbonyl)oxan-3-yl 1-methyl propanedioateFormula:
C27H26O15Smiles:
COC(=O)CC(=O)OC1C(Oc2cc(O)c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c2)OC(C(=O)OC)C(O)C1OAglycone:
COC(=O)CC(=O)O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.33 |
AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
MolWt: | 590.49 | Num_heavy_atoms: | 42 |
TPSA: | 217.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OHBA: | 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 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.5 |
AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
MolWt: | 118.09 | Num_heavy_atoms: | 8 |
TPSA: | 63.6 | NumAromaticRings: | 0 |