Glycoside
GD137658
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C27H28O17Smiles:
O=C(Oc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1)C1OC(O)C(O)C(O)C1OAglycone:
O=COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.5 | Num_heavy_atoms: | 44 |
| TPSA: | 286.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD55604
Formula: C16H10O7
Smiles:
O=COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
