Glycoside
GD000780
Name:
3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H42O9Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4C=C[C@@]3(O)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC3C(C=CC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00825
Formula: C23H30O6
Smiles:
CC12CCC3C(C=CC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
