Glycoside
GD149510
Name:
14-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-16-hydroxy-3-methyl-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,11-dioneFormula:
C23H30O9Smiles:
CC1CC=CCCCCC(=O)Cc2cc(OC3OC(CO)C(O)C3O)cc(O)c2C(=O)O1Aglycone:
CC1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.48 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD59776
Formula: C18H22O5
Smiles:
CC1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
