Glycoside
GD148836
Name:
2-({6-[({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6,8-dihydroxy-3-(4-methoxyphenyl)-1,4-dihydronaphthalen-1-oneFormula:
C35H44O18Smiles:
COc1ccc(C2=C(OC3OC(COC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C(=O)c3c(O)cc(O)cc3C2)cc1Aglycone:
COc1ccc(C2=C(O)C(=O)c3c(O)cc(O)cc3C2)cc1Sugarmoiety:
CC1OC(OC2C(C)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 752.72 | Num_heavy_atoms: | 53 |
| TPSA: | 283.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD59540
Formula: C17H14O5
Smiles:
COc1ccc(C2=C(O)C(=O)c3c(O)cc(O)cc3C2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
