Glycoside
GD133390
Name:
5-hydroxy-3-methoxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C22H22O12Smiles:
COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(OC3OC(C)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD46868
Formula: C16H12O8
Smiles:
COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
