Glycoside
GD136841
Name:
2,3,4-trihydroxy-1-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(1,2,3,4-tetrahydroxy-5-oxopentyl)oxy]-4H-chromen-7-yl]oxy}-5-oxopentyl acetateFormula:
C27H28O17Smiles:
CC(=O)OC(Oc1cc(O)c2c(=O)c(OC(O)C(O)C(O)C(O)C=O)c(-c3ccc(O)cc3)oc2c1)C(O)C(O)C(O)C=OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12Sugarmoiety:
CC(=O)OC(OO)C(O)C(O)C(O)C=O.O=CC(O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 14 |
| MolWt: | 624.5 | Num_heavy_atoms: | 44 |
| TPSA: | 291.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD48580
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
