Glycoside
GD132605
Name:
3-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)peroxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C28H32O17Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OOC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OO)ccc1OSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD53689
Formula: C16H12O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
