Glycoside
GD135833
Name:
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-11-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H40O10Smiles:
CC1CC(O)C(O)C(OC2CCC3(C=O)C4CC(=O)C5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)O1Aglycone:
CC12C(=O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.64 | Num_heavy_atoms: | 40 |
| TPSA: | 163.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD54918
Formula: C24H30O7
Smiles:
CC12C(=O)CC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.5 | Num_heavy_atoms: | 31 |
| TPSA: | 125.04 | NumAromaticRings: | 1 |
