Glycoside
GD124590
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-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-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C39H64O13Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CC3CCC12CAglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)CC3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 740.93 | Num_heavy_atoms: | 52 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50344
Formula: C27H44O3
Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)CC3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
