Glycoside
GD145308
Name:
4,7-dihydroxy-1-(5-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-4-en-1-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehydeFormula:
C31H48O9Smiles:
CC(C)=CC(CCC1CCC2C1CCC1(C=O)C3CCC(O)CC3=CC(O)C21)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC(O)CCC1CCC2C1CCC1(C=O)C3CCC(O)CC3=CC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.72 | Num_heavy_atoms: | 40 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58341
Formula: C25H38O4
Smiles:
CC(C)=CC(O)CCC1CCC2C1CCC1(C=O)C3CCC(O)CC3=CC(O)C21| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.58 | Num_heavy_atoms: | 29 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
