Glycoside
GD151834
Name:
5-{carboxy[3-hydroxy-2-(4-hydroxy-3-methylbut-2-en-1-yl)-5-(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:
C30H42O15Smiles:
CC(C)=CCc1cc(C(OC(=O)CC(C)(O)CC(=O)O)C(=O)O)c(CC=C(C)CO)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)CO)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 642.65 | Num_heavy_atoms: | 45 |
| TPSA: | 260.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD60515
Formula: C24H32O10
Smiles:
CC(C)=CCc1cc(C(OC(=O)CC(C)(O)CC(=O)O)C(=O)O)c(CC=C(C)CO)c(O)c1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 480.51 | Num_heavy_atoms: | 34 |
| TPSA: | 181.82 | NumAromaticRings: | 1 |
