Glycoside
GD132222
Name:
3a,10-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H40O10Smiles:
CC1OC(OC2C=C3CCC4C(C(O)CC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C=O)CC2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.64 | Num_heavy_atoms: | 40 |
| TPSA: | 166.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD53525
Formula: C24H30O6
Smiles:
CC12CC(O)C3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.5 | Num_heavy_atoms: | 30 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
