Glycoside
GD130303
Name:
2-{4-[3-(hydroxymethyl)-4-({3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)oxolan-2-yl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triolFormula:
C32H44O14Smiles:
COc1cc(CC2COC(c3ccc(OC4OC(C)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.69 | Num_heavy_atoms: | 46 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01249
Formula: C20H24O6
Smiles:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
