Glycoside
GD137332
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C29H30O20Smiles:
COc1cc(-c2oc3cc(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 698.54 | Num_heavy_atoms: | 49 |
| TPSA: | 322.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD05337
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
