Glycoside
GD140387
Name:
9-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,5',11a,13a-tetramethyl-octadecahydro-1H-spiro[chryseno[2,1-b]furan-2,2'-oxan]-13-oneFormula:
C46H74O19Smiles:
CC1CCC2(OC1)OC1CCC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 931.08 | Num_heavy_atoms: | 65 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56608
Formula: C28H44O4
Smiles:
CC1CCC2(OC1)OC1CCC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
