Glycoside
GD127886
Name:
1,3-bis[(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl] propanedioateFormula:
C45H40O24Smiles:
O=C(CC(=O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C(O)C(O)C1O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.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: | 24 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.29 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 964.79 | Num_heavy_atoms: | 69 |
| TPSA: | 392.7 | 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 |
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
