Glycoside
GD141538
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{[3-(3-hydroxy-4-methoxyphenyl)-5,6-dimethoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C38H40O18Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC5OCC(O)(COC(=O)C=Cc6ccc(O)cc6)C5O)C(O)C(O)C4O)c(OC)c(OC)c3c2=O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 784.72 | Num_heavy_atoms: | 56 |
| TPSA: | 262.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD57009
Formula: C18H16O7
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
