Glycoside
GD140381
Name:
5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-3-(3-methylbutyl)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C32H40O16Smiles:
CC(C)CCc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)c2c1=OAglycone:
CC(C)CCc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD56604
Formula: C20H20O7
Smiles:
CC(C)CCc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
