Glycoside
GD141248
Name:
6,8-bis[3,4-dihydroxy-6-(hydroxymethyl)-5-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C41H54O23Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(OC4CC(CO)C(O)C(O)C4O)C(O)C3O)c(O)c(C3OC(CO)C(OC4CC(CO)C(O)C(O)C4O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.OCC1CC(O)C(O)C(O)C1O.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 17 | FractionCSP3: | 0.63 |
| AlogP: | -5.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 914.86 | Num_heavy_atoms: | 64 |
| TPSA: | 411.04 | NumAromaticRings: | 3 |
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 |
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
