Glycoside
GD134319
Name:
2-[2-({6-[({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-hydroxyphenyl]-5,7-dihydroxy-4H-chromen-4-oneFormula:
C33H40O19Smiles:
CC1OC(OC2C(O)C(C)OC(OCC3OC(Oc4cc(O)ccc4-c4cc(=O)c5c(O)cc(O)cc5o4)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 740.66 | Num_heavy_atoms: | 52 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD47973
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
