Glycoside
GD115281
Name:
2-{3-hydroxy-5-[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-bis(4-hydroxyphenyl)cyclobutyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H44O16Smiles:
OCC1OC(Oc2cc(O)cc(C3C(c4ccc(O)cc4)C(c4ccc(O)cc4)C3c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C2C(c3ccc(O)cc3)C(c3cc(O)cc(O)c3)C2c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.4 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.78 | Num_heavy_atoms: | 56 |
| TPSA: | 279.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD45569
Formula: C28H24O6
Smiles:
Oc1ccc(C2C(c3ccc(O)cc3)C(c3cc(O)cc(O)c3)C2c2cc(O)cc(O)c2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.49 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 4 |
