Glycoside
GD133365
Name:
9-[4-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyloxan-2-yl]-3,5,8-trihydroxy-3-methyl-1,2,3,4,7,12-hexahydrotetraphene-1,7,12-trioneFormula:
C37H44O14Smiles:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3cc(O)c5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1OC1CC(O)C(O)C(C)O1Aglycone:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3cc(O)c5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 712.75 | Num_heavy_atoms: | 51 |
| TPSA: | 218.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD53982
Formula: C31H34O11
Smiles:
CC1OC(OC2CC(c3ccc4c(c3O)C(=O)c3cc(O)c5c(c3C4=O)C(=O)CC(C)(O)C5)OC(C)C2O)CCC1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 582.6 | Num_heavy_atoms: | 42 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
