Glycoside
GD118638
Name:
3-(7'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl)-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetateFormula:
C44H70O16Smiles:
CC(=O)OC(CC1CC(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(=O)OC(CC1CC(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 237.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD47456
Formula: C32H50O7
Smiles:
CC(=O)OC(CC1CC(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
