Glycoside
GD114659
Name:
5,8-dihydroxy-7-methyl-6-{3-[2-(1-phenylbutan-2-yl)phenyl]propanoyl}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C37H40O11Smiles:
CCC(Cc1ccccc1)c1ccccc1CCC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c2c1OAglycone:
CCC(Cc1ccccc1)c1ccccc1CCC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 660.72 | Num_heavy_atoms: | 48 |
| TPSA: | 194.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD45195
Formula: C31H30O6
Smiles:
CCC(Cc1ccccc1)c1ccccc1CCC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.58 | Num_heavy_atoms: | 37 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
