Glycoside
GD139487
Name:
3,4,5-trihydroxy-6-methyloxan-2-yl 4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-bis(3-methylbut-2-en-1-yl)benzoateFormula:
C35H52O16Smiles:
CC(C)=CCc1cc(C(=O)OC2OC(C)C(O)C(O)C2O)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 728.79 | Num_heavy_atoms: | 51 |
| TPSA: | 254.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD46118
Formula: C17H22O3
Smiles:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
