Glycoside
GD156610
Name:
2-(4-{[4-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-methoxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C33H40O19Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OC1OC(CO)C(O)C(OC2OCC(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
CC1OC(OC2COC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.66 | Num_heavy_atoms: | 52 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD03755
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| HBA: | 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 |
