Glycoside
GD153630
Name:
4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-bis(3-methylbut-2-en-1-yl)benzoic acidFormula:
C29H42O13Smiles:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.64 | Num_heavy_atoms: | 42 |
| TPSA: | 215.83 | 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 |
