Glycoside
GD153117
Name:
2-acetyl-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-(4-hydroxy-3-methylbutoxy)phenyl 2-(4-hydroxyphenyl)acetateFormula:
C33H44O16Smiles:
CC(=O)c1c(OCCC(C)CO)cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1OC(=O)Cc1ccc(O)cc1Aglycone:
CC(=O)c1c(OCCC(C)CO)cc(O)cc1OC(=O)Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 696.7 | Num_heavy_atoms: | 49 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD60923
Formula: C21H24O7
Smiles:
CC(=O)c1c(OCCC(C)CO)cc(O)cc1OC(=O)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
