Glycoside
GD126410
Name:
6,8-dihydroxy-3-(4-hydroxyphenyl)-5-(3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,4-dihydronaphthalen-1-oneFormula:
C33H42O15Smiles:
CC1OC(OC2=C(c3ccc(O)cc3)Cc3c(CCC(C)(C)OC4OC(CO)C(O)C(O)C4O)c(O)cc(O)c3C2=O)C(O)C(O)C1OAglycone:
CC(C)(O)CCc1c(O)cc(O)c2c1CC(c1ccc(O)cc1)=C(O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.68 | Num_heavy_atoms: | 48 |
| TPSA: | 256.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD51145
Formula: C21H22O6
Smiles:
CC(C)(O)CCc1c(O)cc(O)c2c1CC(c1ccc(O)cc1)=C(O)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.4 | Num_heavy_atoms: | 27 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
