Glycoside
GD132170
Name:
8-[4-(1,2-dihydroxy-2-methylpropyl)-2-methyl-6-oxocyclohexyl]-4,4,7,8-tetramethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,4H,4aH,5H,7H,8H,9H,10H,11H-cyclopropa[f]phenanthrene-7-carbaldehydeFormula:
C36H56O9Smiles:
CC1CC(C(O)C(C)(C)O)CC(=O)C1C1(C)CCC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C1(C)C=OAglycone:
CC1CC(C(O)C(C)(C)O)CC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CC=C3C1(C)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53508
Formula: C31H48O5
Smiles:
CC1CC(C(O)C(C)(C)O)CC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CC=C3C1(C)C=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
