Glycoside
GD140577
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carbonyloxy)sulfonyl 6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C42H34O26SSmiles:
O=C(OS(=O)(=O)OC(=O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=COS(=O)(=O)OC=O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.24 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 986.78 | Num_heavy_atoms: | 69 |
| TPSA: | 426.84 | NumAromaticRings: | 6 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(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 |
AD56680
Formula: C2H2O6S
Smiles:
O=COS(=O)(=O)OC=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.1 | Num_heavy_atoms: | 9 |
| TPSA: | 86.74 | NumAromaticRings: | 0 |
