Glycoside
GD138395
Name:
1,3-bis[(3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}oxan-2-yl)methyl] propanedioateFormula:
C45H40O22Smiles:
O=C(CC(=O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(O)C(O)C1O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)OC.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 932.79 | Num_heavy_atoms: | 67 |
| TPSA: | 352.24 | NumAromaticRings: | 6 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(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 |
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 |
