Glycoside
GD152831
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-8-(4-hydroxybut-2-en-1-yl)-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C38H48O20Smiles:
COc1ccc(-c2oc3c(CC=CCO)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=CCO)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 12 |
| MolWt: | 824.78 | Num_heavy_atoms: | 58 |
| TPSA: | 317.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD60821
Formula: C20H18O7
Smiles:
COc1ccc(-c2oc3c(CC=CCO)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
