Glycoside
GD114362
Name:
7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a,10-trihydroxy-11a-methyl-1-(4-oxo-4,5-dihydrofuran-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H40O10Smiles:
CC1OC(OC2CCC3(C=O)C4C(O)CC5(C)C(C6=CC(=O)CO6)CCC5(O)C4C=CC3(O)C2)CC(O)C1OAglycone:
CC12CC(O)C3C(C=CC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)CO1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45012
Formula: C23H30O7
Smiles:
CC12CC(O)C3C(C=CC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)CO1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
