Glycoside
GD142653
Name:
2-{5-hydroxy-2-[2-hydroxy-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(4-hydroxyphenyl)ethyl]-3-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H44O17Smiles:
OCC1OC(Oc2cc(O)cc(C(O)C(c3ccc(O)cc3)c3c(C=Cc4ccc(O)cc4)cc(O)cc3OC3OC(CO)C(O)C(O)C3O)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc(O)c2C(c2ccc(O)cc2)C(O)c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 796.78 | Num_heavy_atoms: | 57 |
| TPSA: | 299.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD54450
Formula: C28H24O7
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2C(c2ccc(O)cc2)C(O)c2cc(O)cc(O)c2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.49 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 4 |
