Glycoside
GD036202
Name:
6-({7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H26O18Smiles:
O=C(O)[C@H]1O[C@@H](Oc2c(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@H]1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.49 | Num_heavy_atoms: | 45 |
| TPSA: | 303.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
