Glycoside
GD155736
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methoxy-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C32H36O17Smiles:
COc1cc2ccc(=O)oc2cc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 692.62 | Num_heavy_atoms: | 49 |
| TPSA: | 242.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
