Glycoside
GD036782
Name:
5,8-dihydroxy-7-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C22H22O13Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.41 | Num_heavy_atoms: | 35 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD05486
Formula: C16H12O9
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.26 | Num_heavy_atoms: | 25 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
