Glycoside
GD130378
Name:
3,5-dihydroxy-2-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C37H40O16Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(OC(=O)C=Cc5ccc(O)cc5)C4O)cc3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 740.71 | Num_heavy_atoms: | 53 |
| TPSA: | 240.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
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 |
