Glycoside
GD145093
Name:
6-[2-(4-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-5,8-dihydroxy-7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C37H38O11Smiles:
Cc1c(C(=O)CC2CCC(Cc3ccccc3)c3ccccc32)c(O)c2c(OC3OC(CO)C(O)C(O)C3O)cc(C(=O)O)cc2c1OAglycone:
Cc1c(C(=O)CC2CCC(Cc3ccccc3)c3ccccc32)c(O)c2c(O)cc(C(=O)O)cc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 658.7 | Num_heavy_atoms: | 48 |
| TPSA: | 194.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD58263
Formula: C31H28O6
Smiles:
Cc1c(C(=O)CC2CCC(Cc3ccccc3)c3ccccc32)c(O)c2c(O)cc(C(=O)O)cc2c1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.56 | Num_heavy_atoms: | 37 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
