Glycoside
GD158343
Name:
2-{2-[3-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)-2,4-bis(4-hydroxyphenyl)cyclobutanecarbonyl]-3,5-dihydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H44O20Smiles:
O=C(c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O)C1C(c2ccc(O)cc2)C(C(=O)c2c(O)cc(O)cc2OC2OC(CO)C(O)C(O)C2O)C1c1ccc(O)cc1Aglycone:
O=C(c1c(O)cc(O)cc1O)C1C(c2ccc(O)cc2)C(C(=O)c2c(O)cc(O)cc2O)C1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.38 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 868.79 | Num_heavy_atoms: | 62 |
| TPSA: | 354.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD62512
Formula: C30H24O10
Smiles:
O=C(c1c(O)cc(O)cc1O)C1C(c2ccc(O)cc2)C(C(=O)c2c(O)cc(O)cc2O)C1c1ccc(O)cc1| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.13 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 544.51 | Num_heavy_atoms: | 40 |
| TPSA: | 195.98 | NumAromaticRings: | 4 |
