Glycoside
GD126235
Name:
(3,4,5-trihydroxyoxolan-2-yl)methyl 3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxy-4-{3-oxo-3-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]prop-1-en-1-yl}phenoxy)prop-2-enoateFormula:
C30H34O16Smiles:
COc1ccc(C=C(Oc2ccc(C=CC(=O)OCC3OC(O)C(O)C3O)cc2OC)C(=O)OCC2OC(O)C(O)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(OC(=Cc2ccc(OC)c(O)c2)C(=O)OC)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 650.59 | Num_heavy_atoms: | 46 |
| TPSA: | 240.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD51069
Formula: C22H22O8
Smiles:
COC(=O)C=Cc1ccc(OC(=Cc2ccc(OC)c(O)c2)C(=O)OC)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 100.52 | NumAromaticRings: | 2 |
