Glycoside
GD121174
Name:
6-[2-(4-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-4-{[5-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methylnaphthalene-2-carboxylic acidFormula:
C39H42O10Smiles:
CCC1(O)C(CO)OC(Oc2cc(C(=O)O)cc3cc(C)c(C(=O)CC4CCC(Cc5ccccc5)c5ccccc54)c(O)c23)C(O)C1OAglycone:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1CCC(Cc2ccccc2)c2ccccc21Sugarmoiety:
CCC1(O)C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 670.76 | Num_heavy_atoms: | 49 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD48747
Formula: C31H28O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1CCC(Cc2ccccc2)c2ccccc21| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.56 | Num_heavy_atoms: | 36 |
| TPSA: | 94.83 | NumAromaticRings: | 4 |
