Glycoside
GD134265
Name:
3-[(1-{[4,5-dihydroxy-2,3-dimethoxy-6-methyl-3-(methylperoxy)oxan-2-yl]peroxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C34H36O18Smiles:
COOC1(OC)C(O)C(O)C(C)OC1(OC)OOC(C=Cc1ccc(O)c(OC)c1)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OAglycone:
COc1cc(C=CC(OO)Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)ccc1OSugarmoiety:
COOC1(OC)C(O)C(O)C(C)OC1(O)OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 732.64 | Num_heavy_atoms: | 52 |
| TPSA: | 254.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD54321
Formula: C25H20O11
Smiles:
COc1cc(C=CC(OO)Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)ccc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.08 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.42 | Num_heavy_atoms: | 36 |
| TPSA: | 179.28 | NumAromaticRings: | 4 |
