Glycoside
GD157236
Name:
7-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1-(1-hydroxy-5-methylhex-4-en-1-yl)-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C40H66O12Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD50573
Formula: C29H48O3
Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.7 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
