Glycoside
GD137589
Name:
5-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoateFormula:
C34H46O21Smiles:
COc1cc(C(=O)Oc2cc(C)ccc2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C(=O)Oc2cc(C)ccc2O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 790.72 | Num_heavy_atoms: | 55 |
| TPSA: | 322.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD55576
Formula: C16H16O6
Smiles:
COc1cc(C(=O)Oc2cc(C)ccc2O)cc(OC)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
