Glycoside
GD120223
Name:
2-(hydroxymethyl)-6-{4-[4-(hydroxymethyl)-5-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)oxolane-3-carbonyl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C32H42O17Smiles:
COc1cc(C(=O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(=O)C2COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 698.67 | Num_heavy_atoms: | 49 |
| TPSA: | 263.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD48265
Formula: C20H22O7
Smiles:
COc1cc(C(=O)C2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
