Glycoside
GD157768
Name:
7'-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2'-(2,6-dimethylhepta-1,3,5-trien-1-yl)-4'b,8',8',10'a-tetramethyl-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-5-oneFormula:
C41H64O12Smiles:
CC(C)=CC=CC(C)=CC1CCC2C3(C)CCC(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(C)=CC=CC(C)=CC1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 748.95 | Num_heavy_atoms: | 53 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD62343
Formula: C30H46O3
Smiles:
CC(C)=CC=CC(C)=CC1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
