Glycoside
GD133729
Name:
5-{carboxy[3-hydroxy-2,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C30H42O14Smiles:
CC(C)=CCc1cc(C(OC(=O)CC(C)(O)CC(=O)O)C(=O)O)c(CC=C(C)C)c(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(OC(=O)CC(C)(O)CC(=O)O)C(=O)O)c(CC=C(C)C)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 626.65 | Num_heavy_atoms: | 44 |
| TPSA: | 240.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD54108
Formula: C24H32O9
Smiles:
CC(C)=CCc1cc(C(OC(=O)CC(C)(O)CC(=O)O)C(=O)O)c(CC=C(C)C)c(O)c1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 464.51 | Num_heavy_atoms: | 33 |
| TPSA: | 161.59 | NumAromaticRings: | 1 |
