Glycoside
GD123591
Name:
6-[(5,6-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C32H28O17Smiles:
COc1cc(C=CC(=O)Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)c(O)c(O)c3c2=O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)Oc2c(-c3ccc(O)cc3)oc3cc(O)c(O)c(O)c3c2=O)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.56 | Num_heavy_atoms: | 49 |
| TPSA: | 272.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD49891
Formula: C26H20O11
Smiles:
COc1cc(C=CC(=O)Oc2c(-c3ccc(O)cc3)oc3cc(O)c(O)c(O)c3c2=O)cc(OC)c1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.08 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.44 | Num_heavy_atoms: | 37 |
| TPSA: | 176.12 | NumAromaticRings: | 4 |
