Glycoside
GD117355
Name:
1,2-bis[(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl] 3,4-bis(4-methoxyphenyl)cyclobutane-1,2-dicarboxylateFormula:
C50H60O24Smiles:
COc1ccc(C2C(C(=O)OCC34OC3C(O)C3C=COC(OC5OC(CO)C(O)C(O)C5O)C34)C(C(=O)OCC34OC3C(O)C3C=COC(OC5OC(CO)C(O)C(O)C5O)C34)C2c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C2C(C(=O)OCC34OC3C(O)C3C=COC(O)C34)C(C(=O)OCC34OC3C(O)C3C=COC(O)C34)C2c2ccc(OC)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 11 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 16 |
| MolWt: | 1045.01 | Num_heavy_atoms: | 74 |
| TPSA: | 353.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD46774
Formula: C38H40O14
Smiles:
COc1ccc(C2C(C(=O)OCC34OC3C(O)C3C=COC(O)C34)C(C(=O)OCC34OC3C(O)C3C=COC(O)C34)C2c2ccc(OC)cc2)cc1| HBA: | 14 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.72 | Num_heavy_atoms: | 52 |
| TPSA: | 195.5 | NumAromaticRings: | 2 |
