Glycoside
GD147917
Name:
2,2'-bis(4-hydroxyphenyl)-7,7'-dimethyl-3-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]-3'-(3,4,5-trihydroxy-6-methyloxan-2-yl)-4H,4'H-[5,5'-bichromene]-4,4'-dioneFormula:
C44H42O15Smiles:
Cc1cc(-c2cc(C)cc3oc(-c4ccc(O)cc4)c(C4C(CO)OC(O)C(O)C4O)c(=O)c23)c2c(=O)c(C3OC(C)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
Cc1cc(-c2cc(C)cc3oc(-c4ccc(O)cc4)cc(=O)c23)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 810.81 | Num_heavy_atoms: | 59 |
| TPSA: | 260.95 | NumAromaticRings: | 6 |
Unique Aglycone
AD59216
Formula: C32H22O6
Smiles:
Cc1cc(-c2cc(C)cc3oc(-c4ccc(O)cc4)cc(=O)c23)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.52 | Num_heavy_atoms: | 38 |
| TPSA: | 100.88 | NumAromaticRings: | 6 |
