Glycoside
GD024530
Name:
3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-7-yl)oxy]oxane-2-carboxylic acidFormula:
C27H28O16Smiles:
O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 266.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD02851
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
