Glycoside
GD036417
Name:
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a,10-trihydroxy-11a-methyl-11-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H40O11Smiles:
C[C@@H]1C[C@H](O)[C@H](O)[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4[C@H](O)C(=O)[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O1Aglycone:
CC12C(=O)C(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 576.64 | Num_heavy_atoms: | 41 |
| TPSA: | 183.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD18959
Formula: C24H30O8
Smiles:
CC12C(=O)C(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 145.27 | NumAromaticRings: | 1 |
