Glycoside
GD157522
Name:
5-hydroxy-2-{4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phenyl}-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C33H42O19Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(c3)OC(c3ccc(OCC5OC(O)C(O)C(O)C5O)cc3)CC4=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 742.68 | Num_heavy_atoms: | 52 |
| TPSA: | 304.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00973
Formula: C16H14O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
